SCHEMBL8459706

SCHEMBL8459706

COCCCCCCOc1c(-c2ccccc2C(=O)O)ccc2ccc(C34CC5CC(CC(C5)C3)C4)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.41
HIF1A Q16665 4/20 0.41
EPAS1 Q99814 2/20 0.41
IKBKB O14920 2/20 0.41
CNR2 P34972 3/20 0.38
MAPK1 P28482 1/20 0.38
FAAH O00519 1/20 0.37
CNR1 P21554 1/20 0.37
SERPINE1 P05121 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
RARA P10276 1/20 0.34
HSPD1 P10809 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
GOT1 P17174 1/20 0.34

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
SCHEMBL8458430 0.92 HIF1A (0.41) PTPN11HIF1AEPAS1IKBKBCNR2
SCHEMBL8457308 0.90 PTPN11 (0.39) PTPN11HIF1AEPAS1IKBKBCNR2
SCHEMBL8458373 0.88 PTPN11 (0.40) PTPN11HIF1AEPAS1IKBKBCNR2
SCHEMBL7929851 0.84 RARB (0.45) PTPN11HIF1AEPAS1IKBKBMAPK1
SCHEMBL7927824 0.80 HIF1A (0.43) HIF1AEPAS1IKBKBLMNAKMT2A
SCHEMBL7920646 0.77 RARB (0.48) PTPN11HIF1AEPAS1IKBKBMAPK1
SCHEMBL8457995 0.76 PTPN11 (0.44) PTPN11IKBKBCNR2MAPK1FAAH
SCHEMBL8457985 0.75 PTPN11 (0.43) PTPN11HIF1AEPAS1IKBKBCNR2
SCHEMBL8459775 0.75 HIF1A (0.43) HIF1AEPAS1CNR2FAAHCNR1
SCHEMBL7930122 0.74 HIF1A (0.43) HIF1AEPAS1LMNAKMT2AMEN1

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