SCHEMBL9546146

SCHEMBL9546146

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.41
▸ ALOX5 P09917 3/20 0.41
▸ OXER1 Q8TDS5 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ SOAT2 O75908 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ PSMB11 A5LHX3 1/20 0.35
▸ PSMA7 O14818 1/20 0.35
▸ PSMB1 P20618 1/20 0.35
▸ PSMA1 P25786 1/20 0.35
▸ PSMA2 P25787 1/20 0.35
▸ PSMA3 P25788 1/20 0.35
▸ PSMA4 P25789 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB9 P28065 1/20 0.35
▸ PSMA5 P28066 1/20 0.35
▸ PSMB4 P28070 1/20 0.35
▸ PSMB6 P28072 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
SCHEMBL9546144 1.00 EPHX2 (0.41) EPHX2ALOX5OXER1CNR1CNR2
SCHEMBL9546184 0.84 EPHX2 (0.42) EPHX2ALOX5OXER1CNR1CNR2
SCHEMBL9546183 0.84 EPHX2 (0.42) EPHX2ALOX5OXER1CNR1CNR2
SCHEMBL9734666 0.81 ALOX5 (0.45) EPHX2ALOX5OXER1CNR1CNR2
SCHEMBL9546080 0.75 EPHX2 (0.46) EPHX2ALOX5OXER1CNR1CNR2
SCHEMBL9546075 0.75 EPHX2 (0.46) EPHX2ALOX5OXER1CNR1CNR2
Methyl Oleate SCHEMBL10455851 0.71 EPHX2 (0.71) EPHX2ALOX5OXER1CNR2SOAT1
Methyl Oleate SCHEMBL1069602 0.71 EPHX2 (0.71) EPHX2ALOX5OXER1CNR2SOAT1
SCHEMBL24751538 0.69 EPHX2 (0.73) EPHX2ALOX5OXER1CNR2SOAT1
Methyl Oleate SCHEMBL2052378 0.69 EPHX2 (0.73) EPHX2ALOX5OXER1CNR2SOAT1

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
Send feedback