SCHEMBL8458437

SCHEMBL8458437

O=C(O)c1cccc(OCCCCCCO)c1-c1ccc2ccc(C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.42
RARG P13631 7/20 0.42
RARA P10276 4/20 0.42
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
HSPD1 P10809 1/20 0.38
GOT1 P17174 1/20 0.38
GLRA1 P23415 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
FAAH O00519 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL8459709 0.92 RARB (0.41) RARBRARGRARAHIF1AEPAS1
SCHEMBL8457312 0.89 RARB (0.39) RARBRARGRARAHIF1AEPAS1
SCHEMBL8458380 0.87 RARB (0.40) RARBRARGRARAHIF1AEPAS1
SCHEMBL8459781 0.78 ALDH1A1 (0.44) RARBRARGRARAHIF1AEPAS1
SCHEMBL8458022 0.78 PTPN11 (0.44) RARBRARGRARAHIF1AEPAS1
SCHEMBL8458427 0.76 RARB (0.51) RARBRARGRARAHIF1AEPAS1
SCHEMBL8457301 0.76 RARB (0.51) RARBRARGRARAHIF1AEPAS1
SCHEMBL8458236 0.76 RARB (0.51) RARBRARGRARAHIF1AEPAS1
SCHEMBL8458370 0.76 RARB (0.51) RARBRARGRARAHIF1AEPAS1
SCHEMBL8457998 0.75 CNR2 (0.42) RARBRARGRARAMEN1KMT2A

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