SCHEMBL9713312

SCHEMBL9713312

CCC1=C(Cl)C(=O)c2ccc(OC)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
ALKBH3 Q96Q83 1/20 0.45
PPARG P37231 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.42
LCK P06239 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL9628518 1.00 CYP19A1 (0.47) CYP19A1ALKBH3PPARGESR1ESR2
SCHEMBL30004012 0.85 ALKBH3 (0.53) CYP19A1ALKBH3ESR1ESR2ALDH1A1
SCHEMBL9656985 0.85 ALKBH3 (0.53) CYP19A1ALKBH3ESR1ESR2ALDH1A1
SCHEMBL9629320 0.83 PPARG (0.48) CYP19A1PPARGALDH1A1MEN1MAPT
SCHEMBL23271934 0.78 TDP2 (0.55) CYP19A1ALKBH3ESR1ESR2ALDH1A1
SCHEMBL30003100 0.78 TDP2 (0.55) CYP19A1ALKBH3ESR1ESR2ALDH1A1
SCHEMBL7451901 0.77 CA1 (0.57) CYP19A1ESR1ESR2ALDH1A1MEN1
SCHEMBL2252533 0.77 CA1 (0.57) CYP19A1ESR1ESR2ALDH1A1MEN1
SCHEMBL9713912 0.77 PPARG (0.49) CYP19A1PPARGALDH1A1MEN1MAPT
SCHEMBL16745457 0.76 ALKBH3 (0.52) ALKBH3PPARGESR1ESR2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed