SCHEMBL9546257

SCHEMBL9546257

CCCCCC(O)C=CC1C=C(SC)C(=O)C1=CCCCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 3/20 0.48
▸ TRPA1 O75762 2/20 0.48
▸ PPARG P37231 2/20 0.47
▸ GPR132 Q9UNW8 1/20 0.47
▸ PTGIR P43119 2/20 0.45
▸ PTGER4 P35408 5/20 0.45
▸ PTGER3 P43115 3/20 0.45
▸ PTGER2 P43116 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ABCC3 O15438 1/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ RARB P10826 1/20 0.45
▸ RARG P13631 1/20 0.45
▸ DRD1 P21728 1/20 0.45

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
SCHEMBL9546254 1.00 NR4A2 (0.48) NR4A2TRPA1PPARGGPR132PTGIR
SCHEMBL9546354 0.90 PTGER3 (0.43) NR4A2TRPA1PPARGPTGIRPTGER4
SCHEMBL9546356 0.90 PTGER3 (0.43) NR4A2TRPA1PPARGPTGIRPTGER4
SCHEMBL9546348 0.88 NR4A2 (0.45) NR4A2TRPA1PPARGGPR132PTGIR
SCHEMBL9546352 0.88 NR4A2 (0.45) NR4A2TRPA1PPARGGPR132PTGIR
SCHEMBL9546156 0.88 PPARG (0.48) NR4A2PPARGCYP3A4HPGDTSHR
SCHEMBL9546159 0.88 PPARG (0.48) NR4A2PPARGCYP3A4HPGDTSHR
SCHEMBL10603403 0.86 NR4A2 (0.50) NR4A2TRPA1PPARGGPR132PTGIR
SCHEMBL10603408 0.86 NR4A2 (0.50) NR4A2TRPA1PPARGGPR132PTGIR
SCHEMBL9546268 0.81 PTGER3 (0.43) NR4A2TRPA1PPARGGPR132PTGIR

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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