SCHEMBL9643157

SCHEMBL9643157

CCCCCCOC1=C(OCCCCCC)C(=S)c2ccc(-c3ccncc3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
GCGR P47871 3/20 0.41
MAPK14 Q16539 1/20 0.41
PTPN1 P18031 2/20 0.38
HTR6 P50406 1/20 0.38
NPC1 O15118 3/20 0.37
LMNA P02545 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GSK3B P49841 2/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL9642935 0.83 CYP1A2 (0.49) CYP2D6PTPN1NPC1SMN1; SMN2KDM4E
SCHEMBL9714225 0.81 CYP3A4 (0.44) CYP3A4CYP2D6GCGRMAPK14PTPN1
SCHEMBL9643142 0.76 BCL2 (0.40) CYP3A4CYP2D6GCGRMAPK14PTPN1
Iodide SCHEMBL5051782 0.70 CYP2D6 (0.67) CYP3A4CYP2D6NPC1LMNANFKB1
SCHEMBL31621352 0.69 CYP2D6 (0.89) CYP3A4CYP2D6NPC1LMNANFKB1
SCHEMBL31621357 0.69 CYP2D6 (0.89) CYP3A4CYP2D6NPC1LMNANFKB1
SCHEMBL9650447 0.69 CYP2D6 (0.89) CYP3A4CYP2D6NPC1LMNANFKB1
SCHEMBL25176182 0.69 CYP3A4 (0.61) CYP3A4CYP2D6NPC1LMNANFKB1
SCHEMBL30434302 0.69 CYP3A4 (0.61) CYP3A4CYP2D6NPC1LMNANFKB1
SCHEMBL9643287 0.69 PTPN1 (0.50) GCGRMAPK14PTPN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 EP disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed