SCHEMBL9350271

SCHEMBL9350271

O=C(O)Cc1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.53
RARA P10276 5/20 0.53
RARG P13631 4/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51

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
SCHEMBL8839036 0.83 EPHX2 (0.54) RARBRARARARGMEN1KMT2A
SCHEMBL8839105 0.81 S1PR1 (0.57) RARBRARARARGMEN1KMT2A
SCHEMBL27430292 0.80 MEN1 (0.47) RARBRARARARGMEN1KMT2A
SCHEMBL16517420 0.79 RARB (0.60) RARBRARARARGMEN1KMT2A
SCHEMBL8796486 0.77 RARB (0.48) RARBRARARARGMEN1KMT2A
SCHEMBL7757395 0.77 RARA (0.75) RARBRARARARGMEN1KMT2A
SCHEMBL17911600 0.77 EPHX2 (0.57) RARBRARARARGMEN1KMT2A
SCHEMBL549446 0.76 MEN1 (0.73) RARBRARARARGMEN1KMT2A
SCHEMBL28093659 0.75 RARB (0.58) RARBRARARARGMEN1KMT2A
SCHEMBL2709455 0.74 EPHX2 (0.44) RARBRARARARGMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552282-B1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CIRD GALDERMA (FR) 1994-08-24 EP disclosed
EP-0552282-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS. CIRD GALDERMA (FR) 1993-07-28 EP disclosed
WO-1992006948-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-04-30 WO disclosed