SCHEMBL9546075

SCHEMBL9546075

CCCCCC/C=C/C1C=C(SC)C(=O)C1CCCCCCC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.46
▸ ALOX5 P09917 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ PTGER2 P43116 5/20 0.39
▸ PTGER4 P35408 3/20 0.39
▸ PTGER3 P43115 3/20 0.39
▸ OXER1 Q8TDS5 1/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ PTGIR P43119 2/20 0.36
▸ CNR1 P21554 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
SCHEMBL9546080 1.00 EPHX2 (0.46) EPHX2ALOX5ALDH1A1LMNAPGR
SCHEMBL9546170 0.82 EPHX2 (0.38) EPHX2ALOX5ALDH1A1PTGER2PTGER4
SCHEMBL9546172 0.82 EPHX2 (0.38) EPHX2ALOX5ALDH1A1PTGER2PTGER4
SCHEMBL9734666 0.79 ALOX5 (0.45) EPHX2ALOX5ALDH1A1LMNAOXER1
SCHEMBL9546183 0.78 EPHX2 (0.42) EPHX2ALOX5ALDH1A1OXER1CNR2
SCHEMBL9546184 0.78 EPHX2 (0.42) EPHX2ALOX5ALDH1A1OXER1CNR2
SCHEMBL9546146 0.75 EPHX2 (0.41) EPHX2ALOX5ALDH1A1LMNAOXER1
SCHEMBL9546144 0.75 EPHX2 (0.41) EPHX2ALOX5ALDH1A1LMNAOXER1
Methyl Oleate SCHEMBL25202566 0.70 EPHX2 (0.73) EPHX2ALOX5ALDH1A1LMNAPGR
SCHEMBL8982713 0.70 EPHX2 (0.73) EPHX2ALOX5ALDH1A1LMNAPGR

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-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
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