SCHEMBL13484186

SCHEMBL13484186

COc1ccc(N2C(=O)CC(CC=C(C)C)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
TSHR P16473 1/20 0.60
POLB P06746 3/20 0.58
MT-CO2 P00403 2/20 0.53
ALOX5 P09917 2/20 0.53
ALDH1A1 P00352 6/20 0.52
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 2/20 0.47

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
SCHEMBL10567897 0.81 MEN1 (0.69) MEN1KMT2ATSHRPOLBMT-CO2
SCHEMBL22571115 0.78 ALDH1A1 (0.59) MEN1KMT2ATSHRPOLBALDH1A1
SCHEMBL8636371 0.78 ALDH1A1 (0.59) MEN1KMT2ATSHRPOLBALDH1A1
SCHEMBL27707089 0.75 MEN1 (0.62) MEN1KMT2ATSHRPOLBMT-CO2
SCHEMBL27707082 0.73 ALDH1A1 (0.61) MEN1KMT2ATSHRPOLBALDH1A1
SCHEMBL9354236 0.72 ALDH1A1 (0.59) MEN1KMT2ATSHRPOLBALDH1A1
SCHEMBL20846699 0.72 ALDH1A1 (0.59) MEN1KMT2ATSHRPOLBALDH1A1
SCHEMBL13484190 0.72 ALDH1A1 (0.62) ALDH1A1MAPTLMNAGAA
SCHEMBL27687819 0.71 MEN1 (0.78) MEN1KMT2ATSHRPOLBALDH1A1
SCHEMBL27687818 0.70 LMNA (0.64) MEN1KMT2ATSHRPOLBALDH1A1

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
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed