SCHEMBL9546356

SCHEMBL9546356

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 3/20 0.43
▸ PTGER4 P35408 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ TRPA1 O75762 2/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ PPARG P37231 3/20 0.38
▸ PRKCA P17252 2/20 0.37
▸ PTGER2 P43116 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ ABHD16A O95870 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PTGIR P43119 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
SCHEMBL9546354 1.00 PTGER3 (0.43) PTGER3PTGER4KDM4EALDH1A1HKDC1
SCHEMBL9546263 0.92 PTGER3 (0.43) PTGER3PTGER4KDM4EALDH1A1HKDC1
SCHEMBL9546268 0.92 PTGER3 (0.43) PTGER3PTGER4KDM4EALDH1A1HKDC1
SCHEMBL9546257 0.90 NR4A2 (0.48) PTGER3PTGER4TRPA1NR4A2PPARG
SCHEMBL9546254 0.90 NR4A2 (0.48) PTGER3PTGER4TRPA1NR4A2PPARG
SCHEMBL9546183 0.88 EPHX2 (0.42) ALDH1A1PRKCATYRABHD16APDE4D
SCHEMBL9546184 0.88 EPHX2 (0.42) ALDH1A1PRKCATYRABHD16APDE4D
SCHEMBL9546104 0.87 PDE4D (0.36) PTGER3PTGER4KDM4EALDH1A1HKDC1
SCHEMBL9546209 0.85 PTGER3 (0.43) PTGER3PTGER4KDM4EALDH1A1HKDC1
SCHEMBL9546084 0.85 PTGER3 (0.43) PTGER3PTGER4KDM4EALDH1A1HKDC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216183-A Antitumor, anticarcinogenic agents; bone formation accelerators TEIJIN LIMITED (JP) 1993-06-01 — — US disclosed
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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