SCHEMBL8458240

SCHEMBL8458240

CCOC(OC)Oc1cccc(-c2ccc3ccc(C45CC6CC(CC(C6)C4)C5)cc3c2)c1CO

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.32
RARG P13631 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RARA P10276 2/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
HSPD1 P10809 1/20 0.32
GOT1 P17174 1/20 0.32
GLRA1 P23415 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
HIF1A Q16665 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL8459321 0.77 RARB (0.39) RARBRARGKMT2AMEN1RARA
SCHEMBL8458440 0.75 RARB (0.40) RARBRARGKMT2AMEN1RARA
SCHEMBL8459326 0.73 KMT2A (0.40) RARBRARGKMT2AMEN1RARA
SCHEMBL7920732 0.73 RARB (0.43) RARBRARGKMT2AMEN1RARA
SCHEMBL8457116 0.72 RARB (0.48) RARBRARGKMT2AMEN1RARA
SCHEMBL8457476 0.72 RARB (0.44) RARBRARGKMT2AMEN1RARA
SCHEMBL8455780 0.71 RARB (0.38) RARBRARGKMT2AMEN1RARA
SCHEMBL7926560 0.70 RARB (0.45) RARBRARGKMT2AMEN1RARA
SCHEMBL8459014 0.70 CNR2 (0.31) HIF1A
SCHEMBL8458022 0.69 PTPN11 (0.44) RARBRARGKMT2AMEN1RARA

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-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