SCHEMBL10605053

SCHEMBL10605053

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.35
▸ PTGER3 P43115 2/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ PTGIR P43119 1/20 0.34
▸ PRKCA P17252 4/20 0.31
▸ TRPA1 O75762 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NR4A1 P22736 1/20 0.30
▸ PTPN7 P35236 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL10603623 1.00 PTGER4 (0.35) PTGER4PTGER3PTGER2PTGIRPRKCA
SCHEMBL9546150 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL9546147 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL10606689 0.84 MAPT (0.37) PTGER4PTGER3PTGER2PTGIRPRKCA
SCHEMBL10606677 0.84 MAPT (0.37) PTGER4PTGER3PTGER2PTGIRPRKCA
SCHEMBL9546036 0.84 PTGER4 (0.30) PTGER4PTGER3PTGER2
SCHEMBL9546033 0.84 PTGER4 (0.30) PTGER4PTGER3PTGER2
SCHEMBL10603539 0.84 PTGIR (0.47) PTGER4PTGER3PTGER2PTGIRTRPA1
SCHEMBL10603544 0.84 PTGIR (0.47) PTGER4PTGER3PTGER2PTGIRTRPA1
SCHEMBL10608251 0.75 TRPA1 (0.40) PTGER4PTGER3PTGER2TRPA1MEN1

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 2 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
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