SCHEMBL9749676

SCHEMBL9749676

O=C(O)Oc1ccc2cc(C(=O)c3ccc4c(c3)C3CCC4C3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 3/20 0.44
RARB P10826 2/20 0.44
ELANE P08246 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRND Q07001 1/20 0.39
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP26A1 O43174 1/20 0.36
RARA P10276 1/20 0.36
CYP26B1 Q9NR63 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
SCHEMBL9748436 0.85 RARG (0.56) RARGRARBMEN1KMT2ANPC1
SCHEMBL8457996 0.75 RARG (0.54) RARGRARBMEN1KMT2ACHRNA1
SCHEMBL8457992 0.75 RARG (0.54) RARGRARBMEN1KMT2ACHRNA1
SCHEMBL10356221 0.75 RARG (0.54) RARGRARBMEN1KMT2ACHRNA1
SCHEMBL9822540 0.73 RARG (0.42) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL10355941 0.73 RARG (0.56) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL1422581 0.73 RARG (0.66) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL1782039 0.73 RARG (0.66) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL1782019 0.73 RARG (0.66) RARGRARBCHRNA1CHRNGCHRNB1
SCHEMBL10544523 0.73 RARG (0.46) RARGRARBMEN1KMT2ANPC1

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
EP-0220118-B1 BICYCLIC NAPHTHALENIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINE AND COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1992-01-02 EP claimed