SCHEMBL9546318

SCHEMBL9546318

CCCCCC(O)/C=C/C1C=C(SC)C(=O)C1C(O)CCCCCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ PTGER4 P35408 5/20 0.42
▸ PTGER3 P43115 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ PPARG P37231 2/20 0.39
▸ PTGER2 P43116 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9546323 1.00 TRPA1 (0.43) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546392 0.89 TRPA1 (0.55) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546388 0.89 TRPA1 (0.55) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546100 0.87 TRPA1 (0.34) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546326 0.84 TRPA1 (0.43) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546335 0.84 TRPA1 (0.43) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546331 0.84 TRPA1 (0.43) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546329 0.84 TRPA1 (0.43) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546188 0.83 TRPA1 (0.41) TRPA1NR4A2PTGER4PTGER3ALDH1A1
SCHEMBL9546185 0.83 TRPA1 (0.41) TRPA1NR4A2PTGER4PTGER3ALDH1A1

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-0338796-B1 2-SUBSTITUTED-2-CYCLOPENTENONES TEIJIN LIMITED (JP) 1993-03-10 — — EP disclosed
US-5116869-A Antitumor Agents, Bone Formation Accelerator TEIJIN LIMITED (JP) 1992-05-26 — — US disclosed
EP-0338796-A2 2-Substituted-2-cyclopentenones TEIJIN LIMITED (JP) 1989-10-25 — — EP disclosed
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