SCHEMBL8908720

SCHEMBL8908720

CC1(C)CCC(C)(C)c2cc(C(=O)COc3ccc(C(=O)O)c(O)c3)c(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
CYP26A1 O43174 3/20 0.54
CYP26B1 Q9NR63 2/20 0.54
RXRA P19793 4/20 0.52
RARB P10826 1/20 0.50
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45
HNF4A P41235 1/20 0.44
MEN1 O00255 2/20 0.44
PPARD Q03181 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8907763 0.90 RXRA (0.53) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL5184246 0.87 CYP26A1 (0.74) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL8907597 0.85 MAOB (0.49) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL9262524 0.81 RXRA (0.48) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL8907781 0.80 MAOB (0.53) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL8907733 0.79 CYP26A1 (0.52) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL5081220 0.78 CYP26A1 (0.76) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL5081216 0.78 CYP26A1 (0.76) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL14157146 0.78 RAB9A (0.71) CYP3A4MAPTKMT2ARAB9ANPC1
SCHEMBL9193675 0.78 CYP3A4 (0.55) CYP3A4CYP26A1CYP26B1RXRARARB

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-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed