SCHEMBL6916435

SCHEMBL6916435

Cc1cccc(C)c1C(=O)O.[InH3]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
MYC P01106 1/20 0.47
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
NOTUM Q6P988 1/20 0.43
TRPM4 Q8TD43 1/20 0.43

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
SCHEMBL355272 0.97 TDP1 (0.61) TDP1L3MBTL1CA12CA1CA2
SCHEMBL6913554 0.95 L3MBTL1 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL6909100 0.95 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL6914106 0.95 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2
Bromide SCHEMBL6113408 0.95 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL6916441 0.95 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL11466346 0.95 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL6907913 0.95 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2
Hydrochloric Acid SCHEMBL6113042 0.95 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL11079483 0.95 TDP1 (0.59) TDP1L3MBTL1CA12CA1CA2

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-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed