SCHEMBL7927274

SCHEMBL7927274

COC(=O)c1ccc(-c2ccc3ccc(C45CC6CC(CC(C6)C4)C5)cc3c2OCCCCCC(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.40
EPAS1 Q99814 2/20 0.39
MDH1 P40925 2/20 0.39
MDH2 P40926 2/20 0.39
EP300 Q09472 1/20 0.39
RARB P10826 6/20 0.37
RARG P13631 6/20 0.37
RARA P10276 3/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
HSPD1 P10809 1/20 0.35
GOT1 P17174 1/20 0.35
GLRA1 P23415 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL7926544 0.92 HIF1A (0.39) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL7927690 0.92 RARB (0.43) HIF1AEPAS1RARBRARGRARA
SCHEMBL7930122 0.91 HIF1A (0.43) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL7927824 0.91 HIF1A (0.43) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL7926559 0.83 RARB (0.44) HIF1AEPAS1RARBRARGRARA
SCHEMBL7929851 0.83 RARB (0.45) HIF1AEPAS1RARBRARGRARA
SCHEMBL8457308 0.81 PTPN11 (0.39) HIF1AEPAS1RARBRARGRARA
SCHEMBL7920646 0.81 RARB (0.48) HIF1AEPAS1RARBRARGRARA
SCHEMBL7926532 0.79 HDAC3 (0.39) HIF1ARARBRARGRARALMNA
SCHEMBL7927269 0.78 HDAC3 (0.40) RARBRARGRARALMNAALDH1A1

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