SCHEMBL6969296

SCHEMBL6969296

CC(=O)c1cc(C(=O)O)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.47
CXCL12 P48061 1/20 0.47
CTH P32929 1/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CA3 P07451 2/20 0.45
HPGD P15428 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
MAPT P10636 2/20 0.45
TPMT P51580 2/20 0.45

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
SCHEMBL6900728 0.88 CA5A (0.48) HMGB1CXCL12CTHCA1CA2
SCHEMBL454210 0.84 HMGB1 (0.56) HMGB1CXCL12CTHKDM4EALDH1A1
SCHEMBL348297 0.83 CA1 (0.56) HMGB1CXCL12CA12CA1CA2
SCHEMBL27690857 0.81 CA1 (0.54) HMGB1CXCL12CA12CA1CA2
SCHEMBL28766413 0.81 CA1 (0.54) HMGB1CXCL12CA12CA1CA2
SCHEMBL27998994 0.79 CA1 (0.52) HMGB1CXCL12CA12CA1CA2
SCHEMBL31238445 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6957335 0.78 TTR (0.67) CA12CA1CA2CA7CA9
SCHEMBL1638962 0.78 TTR (0.67) CA12CA1CA2CA7CA9
SCHEMBL12666445 0.78 CA12 (0.43) CA12CA1CA2CA7CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189504-A1 BROAD - SPECTRUM ANTI VIRAL COMPOUNDS FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2024-09-19 WO disclosed
EP-0902007-B1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2003-11-05 EP disclosed
US-6046212-A ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2000-04-04 US disclosed
EP-0902007-A1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-03-17 EP disclosed