SCHEMBL8458442

SCHEMBL8458442

COCCOCOc1cc(C23CC4CC(CC(C4)C2)C3)cc(-c2cccc3ccccc23)c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.42
RARA P10276 2/20 0.42
HIF1A Q16665 4/20 0.35
EPAS1 Q99814 1/20 0.33
AVPR2 P30518 2/20 0.32
AVPR1A P37288 2/20 0.32
CNR2 P34972 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL8458292 0.84 IKBKB (0.41) IKBKBRARAHIF1AEPAS1CNR2
SCHEMBL8458293 0.83 IKBKB (0.39) IKBKBRARAHIF1AEPAS1MEN1
SCHEMBL8458404 0.80 HIF1A (0.38) IKBKBRARAHIF1AEPAS1MEN1
SCHEMBL8459014 0.77 CNR2 (0.31) HIF1AAVPR2AVPR1ACNR2
SCHEMBL8911209 0.72 RARA (0.41) RARAAVPR2AVPR1ACNR2LMNA
SCHEMBL20565392 0.69 IKBKB (0.47) IKBKBRARAHIF1AEPAS1LMNA
SCHEMBL31327303 0.68 IKBKB (0.42) IKBKBRARAHIF1AEPAS1CNR2
SCHEMBL11057929 0.68 KCNA3 (0.54) MEN1ALDH1A1KMT2AKDM1A
SCHEMBL8909355 0.67 MEN1 (0.42) IKBKBRARACNR2MEN1ALDH1A1
SCHEMBL20565375 0.66 IKBKB (0.48) IKBKBRARAHIF1AEPAS1LMNA

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