SCHEMBL44822

SCHEMBL44822

CC(C)(CCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.41
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
EGLN1 Q9GZT9 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9348952 0.98 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL19283740 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL9334375 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL15443091 0.82 LMNA (0.44) ALDH1A1LMNAMEN1KMT2AHIF1A
SCHEMBL15570883 0.82 LMNA (0.44) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL9346301 0.82 ALDH1A1 (0.37) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL29278244 0.80 ALDH1A1 (0.36) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL9333204 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHR
SCHEMBL2987704 0.79 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL18897485 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4907 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035402-A1 C10-ALKYLENE SUBSTITUTED 13-MEMBERED MACROLIDES AND USES THEREOF ZIKANI THERAPEUTICS INC (US) 2026-02-05 US claimed
EP-3947382-B1 COMPOUNDS FOR USES IN PHARMACOLOGICAL INDUCTION OF HBF FOR TREATMENT OF SICKLE CELL DISEASE AND BETA-THALASSEMIA ACADEMIA SINICA (TW) 2025-09-24 EP claimed
US-12060334-B2 3-substituted phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-13 US claimed
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
US-11634449-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-25 US claimed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP claimed
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-10-20 US claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
CN-103224474-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-07-31 CN claimed
CN-101027279-B Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-03-27 CN claimed
US-20100048957-A1 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S H L 2010-02-25 US claimed
EP-2037762-A4 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S H L (US) 2009-07-08 EP claimed
EP-2037762-A1 METHOD TO PREPARE PURE CURCUMIN Kim, Darrick S.H.L. (US) 2009-03-25 EP claimed
WO-2007143635-A1 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S (US) 2007-12-13 WO claimed