SCHEMBL9627893

SCHEMBL9627893

CCCCCCC1=C(Cl)C(=O)c2cc(C)ccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ELANE P08246 1/20 0.44
PPARG P37231 1/20 0.39
NQO1 P15559 1/20 0.39
POR P16435 1/20 0.39
PTPN1 P18031 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
ALOX5 P09917 9/20 0.36
MPEG1 Q2M385 7/20 0.36
XIAP P98170 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PTGES O14684 1/20 0.36
USP2 O75604 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
SCHEMBL9628399 0.88 MAOA (0.50) MAOAMAOBELANENQO1POR
SCHEMBL571621 0.85 MAOA (0.56) MAOAMAOBELANEPPARGNQO1
SCHEMBL572120 0.85 MAOA (0.56) MAOAMAOBELANEPPARGNQO1
SCHEMBL9627508 0.83 PTPN1 (0.54) PTPN1ALDH1A1MAPTTDP1THRB
SCHEMBL10954496 0.83 PTPN1 (0.54) PTPN1ALDH1A1MAPTTDP1THRB
SCHEMBL10956573 0.83 PTPN1 (0.54) PTPN1ALDH1A1MAPTTDP1THRB
SCHEMBL9627850 0.82 PTPN1 (0.51) PTPN1ALDH1A1MAPTTDP1KDM4E
SCHEMBL9627585 0.81 ALDH1A1 (0.51) ELANEALDH1A1MAPTTDP1THRB
SCHEMBL21469361 0.79 MAOA (0.59) MAOAMAOBELANEPPARGNQO1
SCHEMBL10953110 0.77 IDO1 (0.52) MAOAMAOBPTPN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed