SCHEMBL9643142

SCHEMBL9643142

CCCCCCOC1=C(OCCCCCC)C(=O)c2cc(Sc3ccncc3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.40
MCL1 Q07820 4/20 0.40
PTPN1 P18031 2/20 0.40
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9714218 0.84 NPC1 (0.36) BCL2MCL1PTPN1GCGRMAPK14
SCHEMBL9642920 0.82 PTPN1 (0.41) BCL2MCL1PTPN1GCGRMAPK14
SCHEMBL9643157 0.76 CYP3A4 (0.45) PTPN1GCGRMAPK14NPC1LMNA
SCHEMBL9642365 0.74 MAPT (0.39) BCL2MCL1PTPN1NPC1LMNA
SCHEMBL9642876 0.73 PTPN1 (0.64) PTPN1NPC1LMNASMN1; SMN2CYP3A4
SCHEMBL9643287 0.73 PTPN1 (0.50) PTPN1GCGRMAPK14NPC1MEN1
SCHEMBL9641921 0.73 TSHR (0.53) PTPN1NPC1LMNASMN1; SMN2CYP3A4
SCHEMBL9642738 0.73 MAPT (0.43) BCL2MCL1LMNASMN1; SMN2MEN1
SCHEMBL9643147 0.73 BCL2 (0.44) BCL2MCL1LMNASMN1; SMN2MEN1
SCHEMBL9642710 0.72 PTPN1 (0.51) PTPN1GCGRMAPK14NPC1MEN1

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