SCHEMBL8459692

SCHEMBL8459692

C=CCOC(=O)c1ccc(N=Cc2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.49
RARB P10826 4/20 0.49
RARG P13631 4/20 0.49
HDAC11 Q96DB2 2/20 0.44
HDAC2 Q92769 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
HSPD1 P10809 1/20 0.44
GOT1 P17174 1/20 0.44
GLRA1 P23415 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8460384 0.88 RARA (0.55) RARARARBRARGHDAC11HDAC2
SCHEMBL9189893 0.88 RARA (0.55) RARARARBRARGHDAC11HDAC2
SCHEMBL9186030 0.85 RARA (0.67) RARARARBRARGHDAC11HDAC2
SCHEMBL9187408 0.85 RARA (0.67) RARARARBRARGHDAC11HDAC2
SCHEMBL8459731 0.84 RARA (0.48) RARARARBRARGHDAC11HDAC2
SCHEMBL8459647 0.84 RARA (0.48) RARARARBRARGHDAC11HDAC2
SCHEMBL8612603 0.84 RARA (0.47) RARARARBRARGHDAC11HDAC2
SCHEMBL8459205 0.82 RARA (0.46) RARARARBRARGHDAC11HDAC2
SCHEMBL8459199 0.82 RARA (0.48) RARARARBRARGHDAC11HDAC2
SCHEMBL9502115 0.82 RARA (0.51) RARARARBRARGHDAC11HDAC2

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-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US disclosed
US-5753239-A Bi-aromatic compounds and pharmaceutical and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DEMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1998-05-19 US disclosed