SCHEMBL11206263

SCHEMBL11206263

CC(C)(C)OC(=O)[C@](N)(CCC(N)=O)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL28008005 0.74 ALDH1A1 (0.63) ALDH1A1HTTKMT2AKDM4ETDP1
SCHEMBL27792482 0.72 ALDH1A1 (0.54) ALDH1A1HTTKMT2AKDM4ETDP1
SCHEMBL9178803 0.71 ALDH1A1 (0.56) ALDH1A1HTTKMT2AKDM4ETDP1
SCHEMBL5886755 0.71 ALDH1A1 (0.52) ALDH1A1HTTKMT2AKDM4ETDP1
SCHEMBL30409307 0.71 NPSR1 (0.50) ALDH1A1HTTKMT2AKDM4ENPSR1
SCHEMBL30410326 0.70 NPSR1 (0.62) ALDH1A1HTTKMT2ATDP1NPSR1
SCHEMBL28791340 0.70 DGAT1 (0.35)
SCHEMBL30408992 0.69 NPSR1 (0.55) ALDH1A1HTTKMT2AKDM4ETDP1
SCHEMBL19716283 0.69 RAB9A (0.70) ALDH1A1HTTKMT2AKDM4ETDP1
SCHEMBL27453993 0.69 MAPT (0.43) ALDH1A1KMT2AKDM4EL3MBTL1NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016611-B1 TRIPEPTIDES, PROCESS FOR THEIR PREPARATION, THERAPEUTIC COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR USE ORTHO PHARMACEUTICAL CORPORATION (US) 1983-08-17 EP disclosed
US-4258151-A IMMUNOLOGY AND THYMOLYTIC USES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1981-03-24 US disclosed
US-4232008-A THYMIC FUNCTION AND IMMUNITY ORTHO PHARMACEUTICAL CORPORATION (US) 1980-11-04 US disclosed
US-4215112-A IMMUNOLOGY; GLANDULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1980-07-29 US disclosed
US-4190647-A INDUCE DIFFERENTIATION OF T-LYMPHOCYTES AND COMPLEMENT RECEPTOR (CR+) B-LYMPHOCYTES, USEFUL AS THYMIC FUNCTION AND IMMUNITY DRUGS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1980-02-26 US disclosed
US-4055568-A YELLOW BASF AKTIENGESELLSCHAFT (DT) 1977-10-25 US disclosed
US-4002740-A POLYPEPTIDES USED IN TREATING FUNGAL INFECTIONS, MYCOPLASMA INFECTIONS, TUBERCULOSIS, LEPROSY, AND VIRAL INFECTIONS GOLDSTEIN GIDEON 1977-01-11 US disclosed