SCHEMBL9670652

SCHEMBL9670652

CC(=O)OC(CCCCCc1cccc2ccccc12)C1=CC(O)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.36
MTNR1A P48039 2/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR5 P35346 1/20 0.35
HCRTR1 O43613 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CDYL Q9Y232 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
SCHEMBL8616611 0.78 PDCD4 (0.43)
SCHEMBL8617164 0.78 PDCD4 (0.43)
SCHEMBL9671393 0.78 NAAA (0.42)
SCHEMBL9670290 0.75 MCL1 (0.35) MCL1MTNR1AKMT2AL3MBTL1KDM4E
SCHEMBL9670188 0.69 PDCD4 (0.41)
SCHEMBL28789111 0.68 LTB4R (0.52) MCL1MTNR1AKMT2ASIGMAR1KDM4E
SCHEMBL11552726 0.67 MTNR1A (0.45) MCL1MTNR1AKMT2AL3MBTL1SIGMAR1
SCHEMBL11256402 0.67 MTNR1A (0.42) MCL1MTNR1AKMT2AL3MBTL1SIGMAR1
SCHEMBL11709614 0.67 SIGMAR1 (0.51) KMT2ASIGMAR1
SCHEMBL6863376 0.67 SIGMAR1 (0.51) KMT2ASIGMAR1

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-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
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