SCHEMBL25527598

SCHEMBL25527598

CC(CC(=O)c1ccccc1)C(=O)N(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ KMT2A Q03164 8/20 0.49
▸ TSHR P16473 1/20 0.47
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL27627130 0.85 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL25634656 0.80 CHRNB2 (0.46) SMN1; SMN2ALDH1A1L3MBTL1LMNAHPGD
SCHEMBL1491198 0.80 CHRNB2 (0.46) SMN1; SMN2ALDH1A1L3MBTL1LMNAHPGD
SCHEMBL135355 0.77 L3MBTL1 (0.66) SMN1; SMN2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL24767635 0.77 CHRNB2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL18325693 0.77 HPGD (0.66) ALDH1A1LMNAHPGDKMT2ATSHR
SCHEMBL25645639 0.75 L3MBTL1 (0.64) SMN1; SMN2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL8675027 0.75 L3MBTL1 (0.64) SMN1; SMN2ALDH1A1L3MBTL1LMNAMAPT
Trimethylammonium SCHEMBL27818073 0.75 TSHR (0.57) SMN1; SMN2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL1139982 0.75 MLYCD (0.54) SMN1; SMN2L3MBTL1LMNAKMT2ACHRNB2

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

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023077218-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2023-05-11 — — WO disclosed
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