SCHEMBL10603539

SCHEMBL10603539

CCCCC(C)CC(O)/C=C/C1C=C(Cl)C(=O)/C1=C\CCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.47
▸ TRPA1 O75762 2/20 0.39
▸ NR4A2 P43354 2/20 0.39
▸ PTGER4 P35408 6/20 0.36
▸ PTGER3 P43115 4/20 0.36
▸ PTGER2 P43116 4/20 0.36
▸ ABHD16A O95870 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ GPR132 Q9UNW8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL10603544 1.00 PTGIR (0.47) PTGIRTRPA1NR4A2PTGER4PTGER3
SCHEMBL10603408 0.88 NR4A2 (0.50) PTGIRTRPA1NR4A2PTGER4PTGER3
SCHEMBL10603403 0.88 NR4A2 (0.50) PTGIRTRPA1NR4A2PTGER4PTGER3
SCHEMBL10605053 0.84 PTGER4 (0.35) PTGIRTRPA1PTGER4PTGER3PTGER2
SCHEMBL10603623 0.84 PTGER4 (0.35) PTGIRTRPA1PTGER4PTGER3PTGER2
SCHEMBL10619857 0.83 PTGIR (0.49) PTGIRTRPA1NR4A2ABHD16APPARG
SCHEMBL10619854 0.83 PTGIR (0.49) PTGIRTRPA1NR4A2ABHD16APPARG
SCHEMBL10608251 0.82 TRPA1 (0.40) TRPA1NR4A2PTGER4PTGER3PTGER2
SCHEMBL10608248 0.82 TRPA1 (0.40) TRPA1NR4A2PTGER4PTGER3PTGER2
SCHEMBL10606550 0.82 PPARG (0.50) NR4A2PPARGCYP3A4HPGDTSHR

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
EP-0131441-B1 5-ALKYLIDENE-2-HALO-4-SUBSTITUTED-2-CYCLOPENTENONE AND PROCESS FOR PRODUCTION THEREOF TEIJIN LIMITED (JP) 1989-10-18 — — EP disclosed
US-4689426-A ANTITUMOR AGENTS, VIRCIDES, BACTERICIDES TEIJIN LIMITED (JP) 1987-08-25 — — US disclosed
EP-0131441-A2 5-Alkylidene-2-halo-4-substituted-2-cyclopentenone and process for production thereof TEIJIN LIMITED (JP) 1985-01-16 — — EP disclosed
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