SCHEMBL8394253

SCHEMBL8394253

C=CCOC(=O)c1ccc(NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)c(OCOCCOC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.49
RARA P10276 2/20 0.49
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 5/20 0.39
RARG P13631 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 2/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
EPAS1 Q99814 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
SCHEMBL8693106 0.93 IKBKB (0.57) IKBKBRARAMAPTNPC1POLB
SCHEMBL8398267 0.89 IKBKB (0.49) IKBKBRARAHIF1ARARGEPAS1
SCHEMBL8694721 0.87 RARA (0.54) IKBKBRARAMAPTNPC1POLB
SCHEMBL8434728 0.87 RARA (0.60) IKBKBRARARARGMAPK1ALDH1A1
SCHEMBL8394243 0.86 IKBKB (0.40) IKBKBRARAMAPTNPC1POLB
SCHEMBL8693724 0.82 RARA (0.57) IKBKBRARAHIF1ARARGEPAS1
SCHEMBL8457513 0.82 RARA (0.49) IKBKBRARAMAPTNPC1RAB9A
SCHEMBL8433956 0.80 HIF1A (0.35) IKBKBRARAMAPTNPC1POLB
SCHEMBL8426173 0.80 RARA (0.70) IKBKBRARARARGMAPK1ALDH1A1
SCHEMBL8394736 0.79 IKBKB (0.53) IKBKBRARAMAPTNPC1RAB9A

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-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed