SCHEMBL9829064

SCHEMBL9829064

CCOC(=O)c1ccc(CN2CCC(=O)C2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 3/20 0.42
ALOX15 P16050 2/20 0.42

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
SCHEMBL9829914 0.87 HSD17B2 (0.51) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL9829790 0.84 ALDH1A1 (0.41) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL9831170 0.82 KMT2A (0.59) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL9829764 0.78 MEN1 (0.45) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL9830967 0.78 SRD5A1 (0.49) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL9831086 0.74 POLB (0.44) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL16335558 0.72 MAPT (0.57) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL9832862 0.72 ALDH1A1 (0.52) ALDH1A1RAB9ACA12CA1CA2
SCHEMBL17033980 0.71 CA1 (0.56) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10944876 0.71 CA12 (0.56) ALDH1A1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed