SCHEMBL9736128

SCHEMBL9736128

COC(CCCc1ccccc1)C1=CC(=O)OC1O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
APP P05067 1/20 0.39
NAAA Q02083 5/20 0.37
PLA2G6 O60733 2/20 0.37
PLA2G4A P47712 1/20 0.37

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
SCHEMBL9669974 0.87 NAAA (0.40) CYP3A4APPNAAA
SCHEMBL9734802 0.83 CYP3A4 (0.40) CYP3A4APP
SCHEMBL9670637 0.82 NAAA (0.43) NAAA
SCHEMBL9671073 0.82 NAAA (0.43) NAAA
SCHEMBL8985077 0.82 NAAA (0.43) NAAA
SCHEMBL9671370 0.81 PTPN1 (0.46) APP
SCHEMBL9327053 0.78 PTPN1 (0.43)
SCHEMBL9670400 0.77 MMP12 (0.45) NAAA
SCHEMBL9327478 0.77 PTPN1 (0.42) APPNAAA
SCHEMBL9671026 0.75 NAAA (0.39) CYP3A4NAAA

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
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed