SCHEMBL3190231

SCHEMBL3190231

CCc1ccccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H]([C@H]4C[C@H]43)[C@@H]2C1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
TSHR P16473 1/20 0.55
MGLL Q99685 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3190223 1.00 LMNA (0.56) LMNATSHRMGLLMEN1KMT2A
SCHEMBL3456919 0.79 ALDH1A1 (0.58) LMNATSHRMGLLMEN1KMT2A
SCHEMBL5923333 0.77 MAPT (0.55) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL3194493 0.77 MAPT (0.55) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL5923339 0.77 MAPT (0.55) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL3179689 0.76 HTT (0.49) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3179702 0.76 HTT (0.49) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3179696 0.76 HTT (0.49) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3190638 0.75 SMN1; SMN2 (0.59) MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL3190648 0.75 SMN1; SMN2 (0.59) MGLLMEN1KMT2ASMN1; SMN2

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 claimed