SCHEMBL8458440

SCHEMBL8458440

CCOC(OC)Oc1cc2ccc(-c3ccccc3O)cc2cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.40
RARG P13631 7/20 0.40
RARA P10276 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PGR P06401 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
NR2E1 Q9Y466 1/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 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
SCHEMBL8459321 0.89 RARB (0.39) RARBRARGRARAMEN1KMT2A
SCHEMBL8457476 0.88 RARB (0.44) RARBRARGRARAMEN1KMT2A
SCHEMBL8457116 0.88 RARB (0.48) RARBRARGRARAMEN1KMT2A
SCHEMBL7926560 0.87 RARB (0.45) RARBRARGRARAMEN1KMT2A
SCHEMBL8455780 0.87 RARB (0.38) RARBRARGRARAMEN1KMT2A
SCHEMBL7920732 0.83 RARB (0.43) RARBRARGRARAMEN1KMT2A
SCHEMBL2917266 0.83 RARB (0.48) RARBRARGRARAMEN1KMT2A
SCHEMBL7929563 0.82 RARB (0.44) RARBRARGRARAMEN1KMT2A
SCHEMBL9011095 0.82 RARB (0.42) RARBRARGRARAMEN1KMT2A
SCHEMBL8458444 0.82 RARB (0.40) 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 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