SCHEMBL7926540

SCHEMBL7926540

CCCCOc1c(-c2ccc(C(=O)O)cc2)ccc2cc(C(=O)OCC)c(C34CC5CC(CC(C5)C3)C4)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.42
RARG P13631 7/20 0.42
IKBKB O14920 6/20 0.41
PTPN11 Q06124 1/20 0.41
RARA P10276 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL7929547 0.97 RARB (0.43) RARBRARGIKBKBPTPN11RARA
SCHEMBL7920764 0.87 IKBKB (0.35) RARBRARGIKBKBPTPN11RARA
SCHEMBL8457985 0.87 PTPN11 (0.43) IKBKBPTPN11MEN1KMT2ALMNA
SCHEMBL8457995 0.84 PTPN11 (0.44) IKBKBPTPN11MEN1KMT2ALMNA
SCHEMBL7927712 0.77 MEN1 (0.43) RARBRARGIKBKBPTPN11RARA
SCHEMBL7920725 0.77 RARG (0.54) RARBRARGIKBKBRARAMEN1
Hydrochloric Acid SCHEMBL7929378 0.76 RARG (0.53) RARBRARGIKBKBRARAMEN1
SCHEMBL8457991 0.74 RARB (0.41) RARBRARGPTPN11RARAMEN1
SCHEMBL7929851 0.74 RARB (0.45) RARBRARGIKBKBPTPN11RARA
SCHEMBL7920646 0.73 RARB (0.48) RARBRARGIKBKBPTPN11RARA

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