SCHEMBL8459709

SCHEMBL8459709

COCCCCCCOc1cccc(C(=O)O)c1-c1ccc2ccc(C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41
RARA P10276 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 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
CNR2 P34972 4/20 0.40
FAAH O00519 2/20 0.40
CNR1 P21554 1/20 0.40
HIF1A Q16665 4/20 0.38
EPAS1 Q99814 2/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL8458437 0.92 RARB (0.42) RARBRARGRARAKMT2AMEN1
SCHEMBL8457312 0.90 RARB (0.39) RARBRARGRARAKMT2AMEN1
SCHEMBL8458380 0.88 RARB (0.40) RARBRARGRARAKMT2AMEN1
SCHEMBL8458022 0.79 PTPN11 (0.44) RARBRARGRARAKMT2AMEN1
SCHEMBL8459781 0.77 ALDH1A1 (0.44) RARBRARGRARAKMT2AMEN1
SCHEMBL8459703 0.77 RARB (0.52) RARBRARGRARAKMT2AMEN1
SCHEMBL8457998 0.76 CNR2 (0.42) RARBRARGRARAKMT2AMEN1
SCHEMBL8457991 0.75 RARB (0.41) RARBRARGRARAKMT2AMEN1
SCHEMBL8911212 0.74 RARB (0.55) RARBRARGRARAKMT2AMEN1
SCHEMBL8459706 0.74 PTPN11 (0.41) RARBRARGRARAKMT2AMEN1

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