SCHEMBL8458404

SCHEMBL8458404

COCCOCOc1cc(C23CC4CC(CC(C4)C2)C3)cc(-c2cccc3ccccc23)c1C(=O)Nc1ccc(OC(C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.38
IKBKB O14920 4/20 0.38
RARA P10276 2/20 0.38
EPAS1 Q99814 3/20 0.38
EPHX2 P34913 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 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
SCHEMBL8458293 0.92 IKBKB (0.39) HIF1AIKBKBRARAEPAS1MEN1
SCHEMBL8458292 0.85 IKBKB (0.41) HIF1AIKBKBRARAEPAS1KMT2A
SCHEMBL8457350 0.83 EPHX2 (0.36) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL8458442 0.80 IKBKB (0.42) HIF1AIKBKBRARAEPAS1MEN1
SCHEMBL8458190 0.74 DEGS1 (0.35) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL7926635 0.71 IKBKB (0.48) IKBKBRARAEPHX2MEN1KMT2A
SCHEMBL8911209 0.71 RARA (0.41) RARAMEN1KMT2A
SCHEMBL7926536 0.68 IKBKB (0.50) IKBKBRARAMEN1KMT2A
SCHEMBL8575213 0.67 RARA (0.54) IKBKBRARAMEN1KMT2A
SCHEMBL8434728 0.65 RARA (0.60) IKBKBRARAMEN1KMT2ATSHR

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-5952382-A INHIBITING THE BIOLOGICAL EFFECTS OF AN OVERREGULATION OF RETINOID ACID RECEPTORS AND/OR OF A HYPERVITAMINOSIS A; TREATING SKIN DISORDER, EYE VISION DEFECTS, SKIN AGING CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-09-14 US disclosed