SCHEMBL6907035

SCHEMBL6907035

COC(=O)c1ccc2c(c1)Cc1cc(C(=O)OC)ccc1C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA12 O43570 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
XDH P47989 1/20 0.55
TRPA1 O75762 3/20 0.54
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL8920996 1.00 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL8921005 0.93 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL17978157 0.86 HSD17B1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL13550865 0.85 PTPRC (0.54) CA1CA2CA12CA7CA9
SCHEMBL9644030 0.84 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL7042343 0.83 TRPA1 (0.51) TRPA1MAPTALDH1A1KDM4EHPGD
SCHEMBL354866 0.83 SRD5A1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL4918684 0.83 SRD5A2 (0.66) TRPA1MAPTALDH1A1KDM4EHPGD
SCHEMBL353319 0.83 SRD5A1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL23166496 0.81 MAPT (0.53) CA1CA2CA12CA7CA9

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed