SCHEMBL9735619

SCHEMBL9735619

CC(=O)OC(CCCCCC=CCCc1ccccc1)C1=CC(=O)OC1O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
PTGER3 P43115 3/20 0.35
PTGER1 P34995 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGFR P43088 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ABCB11 O95342 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL9735612 1.00 NAAA (0.35) NAAAPTGER3PTGER1PTGER4PTGFR
SCHEMBL9670637 0.90 NAAA (0.43) NAAA
SCHEMBL8985077 0.90 NAAA (0.43) NAAA
SCHEMBL9671073 0.90 NAAA (0.43) NAAA
SCHEMBL9669974 0.88 NAAA (0.40) NAAA
SCHEMBL9670400 0.84 MMP12 (0.45) NAAA
SCHEMBL9671190 0.82 ALOX5 (0.36) KDM4EMEN1KMT2A
Benzene SCHEMBL9328037 0.81 PDCD4 (0.45)
SCHEMBL9671365 0.81 RARB (0.40) NAAAPTGER3PTGER4MEN1MAPT
SCHEMBL9670188 0.79 PDCD4 (0.41)

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