SCHEMBL8415860

SCHEMBL8415860

CCC(=O)C1OC1c1cccc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
TSHR P16473 2/20 0.42
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
SLC7A5 Q01650 1/20 0.41
PPM1B O75688 2/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC10A2 Q12908 1/20 0.39

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
SCHEMBL1499484 0.81 LOXL2 (0.48) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL9378795 0.78 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL9375934 0.78 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL10374052 0.78 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL8418584 0.77 LOXL2 (0.47) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL8418580 0.77 LOXL2 (0.47) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL8418579 0.77 LOXL2 (0.47) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL15981992 0.77 LOXL2 (0.41) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL15298368 0.76 SLC5A2 (0.56)
SCHEMBL8418720 0.75 LOXL2 (0.44) LOXL2CYP4F2CYP4A11TSHRRAB9A

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
US-5990326-A AN ANTIINFLAMMATORY AGENT AS INHIBITORS OF LEUKOTRIENE HYDROLASE G.D. SEARLE & CO. (US) 1999-11-23 US disclosed
EP-0360246-B1 3-Oxiranyl benzoic acids and derivatives thereof SEARLE & CO (US) 1994-03-30 EP disclosed
EP-0360246-A1 3-Oxiranyl benzoic acids and derivatives thereof G.D. Searle & Co. (US) 1990-03-28 EP disclosed