SCHEMBL8458292

SCHEMBL8458292

CCNC(=O)c1c(OCOCCOC)cc(C23CC4CC(CC(C4)C2)C3)cc1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.41
RARA P10276 2/20 0.41
LMNA P02545 1/20 0.35
HIF1A Q16665 4/20 0.35
MAPK1 P28482 1/20 0.35
EPAS1 Q99814 1/20 0.34
PPARG P37231 3/20 0.34
CNR2 P34972 2/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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 0.87 IKBKB (0.39) IKBKBRARAHIF1AEPAS1KMT2A
SCHEMBL8458404 0.85 HIF1A (0.38) IKBKBRARAHIF1AEPAS1KMT2A
SCHEMBL8458442 0.84 IKBKB (0.42) IKBKBRARALMNAHIF1AEPAS1
SCHEMBL8911209 0.75 RARA (0.41) RARALMNACNR2KMT2AGPR55
SCHEMBL8909355 0.68 MEN1 (0.42) IKBKBRARAMAPK1CNR2KMT2A
SCHEMBL8397777 0.67 IKBKB (0.50) IKBKBRARAMAPK1PPARG
SCHEMBL8572384 0.67 IKBKB (0.56) IKBKBRARALMNAPPARGKMT2A
SCHEMBL7930000 0.67 IKBKB (0.51) IKBKBRARALMNAMAPK1KMT2A
SCHEMBL5888253 0.67 RARA (0.62) IKBKBRARAPPARG
SCHEMBL8459014 0.66 CNR2 (0.31) HIF1ACNR2

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 2 patents. 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 claimed
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