SCHEMBL7929547

SCHEMBL7929547

CCCCCOc1c(-c2ccc(C(=O)O)cc2)ccc2cc(C(=O)OCC)c(C34CC5CC(CC(C5)C3)C4)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.43
RARG P13631 7/20 0.43
PTPN11 Q06124 2/20 0.43
RARA P10276 5/20 0.43
IKBKB O14920 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL7926540 0.97 RARB (0.42) RARBRARGPTPN11RARAIKBKB
SCHEMBL7920764 0.89 IKBKB (0.35) RARBRARGPTPN11RARAIKBKB
SCHEMBL8457995 0.87 PTPN11 (0.44) PTPN11IKBKBMEN1KMT2ALMNA
SCHEMBL8457985 0.84 PTPN11 (0.43) PTPN11IKBKBMEN1KMT2ALMNA
SCHEMBL7927712 0.80 MEN1 (0.43) RARBRARGPTPN11RARAIKBKB
SCHEMBL7920725 0.76 RARG (0.54) RARBRARGRARAIKBKBMEN1
Hydrochloric Acid SCHEMBL7929378 0.76 RARG (0.53) RARBRARGRARAIKBKBMEN1
SCHEMBL7929851 0.75 RARB (0.45) RARBRARGPTPN11RARAIKBKB
SCHEMBL8457998 0.75 CNR2 (0.42) RARBRARGPTPN11RARAMEN1
SCHEMBL7920646 0.75 RARB (0.48) RARBRARGPTPN11RARAIKBKB

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