SCHEMBL7929960

SCHEMBL7929960

COc1c(-c2ccc(C(=O)O)c(O)c2)ccc2cc(OC(C)OC)c(C34CC5CC(CC(C5)C3)C4)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.44
RARB P10826 5/20 0.44
RARG P13631 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
HSPD1 P10809 1/20 0.44
GOT1 P17174 1/20 0.44
GLRA1 P23415 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IKBKB O14920 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7920708 0.91 RARG (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL7923498 0.88 RARB (0.53) RARARARBRARGMEN1KMT2A
Hydrochloric Acid SCHEMBL7929968 0.87 RARB (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL7102156 0.82 RARA (0.44) RARARARBRARGMEN1KMT2A
SCHEMBL1684004 0.75 RARB (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL2917266 0.73 RARB (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL7926503 0.73 RARB (0.37) RARARARBRARGMEN1KMT2A
SCHEMBL7932581 0.73 RARA (0.36) RARARARBRARGMEN1KMT2A
SCHEMBL7691327 0.73 HDAC11 (0.41) RARARARBRARGMEN1KMT2A
SCHEMBL9090674 0.70 CNR2 (0.36) RARARARBRARGMEN1KMT2A

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-6225328-B1 FOR THERAPY OF DISORDERS OR AILMENTS RELATED TO AN OVERREGULATION OF RETINOIC ACID RECEPTORS AND/OR TO HYPERVIAMINOSIS A CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-05-01 US disclosed