SCHEMBL8459205

SCHEMBL8459205

C=CCOC(=O)c1ccc(N=C(SC)c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.46
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC11 Q96DB2 2/20 0.39
HDAC2 Q92769 1/20 0.39
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 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
SCHEMBL8459731 0.88 RARA (0.48) RARARARBRARGKMT2AMEN1
SCHEMBL8459647 0.88 RARA (0.48) RARARARBRARGKMT2AMEN1
SCHEMBL8612603 0.88 RARA (0.47) RARARARBRARGKMT2AMEN1
SCHEMBL8459199 0.86 RARA (0.48) RARARARBRARGKMT2AMEN1
SCHEMBL8457513 0.83 RARA (0.49) RARARARBRARGKMT2AMEN1
SCHEMBL9502115 0.82 RARA (0.51) RARARARBRARGKMT2AMEN1
SCHEMBL8459692 0.82 RARA (0.49) RARARARBRARGKMT2AMEN1
SCHEMBL8839137 0.82 RARA (0.50) RARARARBRARGKMT2AMEN1
SCHEMBL9128086 0.81 RARA (0.51) RARARARBRARGKMT2AMEN1
SCHEMBL9740004 0.79 RARA (0.49) RARARARBRARGKMT2AMEN1

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