SCHEMBL6912987

SCHEMBL6912987

Cc1ccc(C)c(C(=O)O)c1C.[InH3]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
NOTUM Q6P988 1/20 0.41
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
CYP3A4 P08684 3/20 0.40
ACHE P22303 1/20 0.40
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31643852 0.97 METAP2 (0.45) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL1257806 0.97 METAP2 (0.45) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL6914942 0.95 METAP2 (0.44) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL6913870 0.95 METAP2 (0.44) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL6915277 0.95 METAP2 (0.44) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL6907853 0.95 METAP2 (0.44) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL6912990 0.95 METAP2 (0.44) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL6916711 0.95 METAP2 (0.44) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL6913510 0.95 METAP2 (0.44) METAP2TDP1MCL1L3MBTL1CA12
SCHEMBL3392120 0.84 TDP1 (0.48) TDP1MCL1L3MBTL1CA12CA1

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