SCHEMBL8458430

SCHEMBL8458430

O=C(O)c1ccccc1-c1ccc2ccc(C34CC5CC(CC(C5)C3)C4)cc2c1OCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.41
EPAS1 Q99814 3/20 0.41
PTPN11 Q06124 2/20 0.40
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
RARA P10276 1/20 0.37
CNR2 P34972 3/20 0.35
SERPINE1 P05121 2/20 0.35
HTT P42858 1/20 0.35
IKBKB O14920 2/20 0.34
CNR1 P21554 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL8459706 0.92 PTPN11 (0.41) HIF1AEPAS1PTPN11RARBRARG
SCHEMBL8457308 0.89 PTPN11 (0.39) HIF1AEPAS1PTPN11RARBRARG
SCHEMBL8458373 0.87 PTPN11 (0.40) HIF1AEPAS1PTPN11RARBRARG
SCHEMBL7920646 0.85 RARB (0.48) HIF1AEPAS1PTPN11RARBRARG
SCHEMBL7930122 0.79 HIF1A (0.43) HIF1AEPAS1RARBRARGRARA
SCHEMBL7929851 0.78 RARB (0.45) HIF1AEPAS1PTPN11RARBRARG
SCHEMBL8459775 0.76 HIF1A (0.43) HIF1AEPAS1CNR2SERPINE1CNR1
SCHEMBL7927690 0.75 RARB (0.43) HIF1AEPAS1PTPN11RARBRARG
SCHEMBL8457995 0.75 PTPN11 (0.44) PTPN11CNR2IKBKBCNR1MEN1
SCHEMBL7926559 0.74 RARB (0.44) HIF1AEPAS1PTPN11RARBRARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952382-A INHIBITING THE BIOLOGICAL EFFECTS OF AN OVERREGULATION OF RETINOID ACID RECEPTORS AND/OR OF A HYPERVITAMINOSIS A; TREATING SKIN DISORDER, EYE VISION DEFECTS, SKIN AGING CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-09-14 US claimed
US-5952382-A INHIBITING THE BIOLOGICAL EFFECTS OF AN OVERREGULATION OF RETINOID ACID RECEPTORS AND/OR OF A HYPERVITAMINOSIS A; TREATING SKIN DISORDER, EYE VISION DEFECTS, SKIN AGING CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-09-14 US disclosed