SCHEMBL7927712

SCHEMBL7927712

CCCCCCOc1c(-c2ccc(C(=O)OC)cc2)ccc2cc(O)c(C34CC5CC(CC(C5)C3)C4)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
IKBKB O14920 4/20 0.43
RARB P10826 6/20 0.42
RARG P13631 6/20 0.42
RARA P10276 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7929981 0.83 MEN1 (0.48) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7930122 0.81 HIF1A (0.43) MEN1KMT2ARARBRARGRARA
SCHEMBL7927824 0.81 HIF1A (0.43) MEN1KMT2AIKBKBRARBRARG
SCHEMBL7929547 0.80 RARB (0.43) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7920764 0.78 IKBKB (0.35) MEN1KMT2ARECQLIKBKBRARB
SCHEMBL7926544 0.78 HIF1A (0.39) MEN1KMT2ARARBRARGRARA
SCHEMBL7927274 0.77 HIF1A (0.40) MEN1KMT2ARARBRARGRARA
SCHEMBL7926540 0.77 RARB (0.42) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7920651 0.76 RARB (0.54) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7920624 0.76 ALDH1A1 (0.41) MEN1KMT2ARARBRARGRARA

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-6225328-B1 FOR THERAPY OF DISORDERS OR AILMENTS RELATED TO AN OVERREGULATION OF RETINOIC ACID RECEPTORS AND/OR TO HYPERVIAMINOSIS A CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-05-01 US disclosed