SCHEMBL6421763

SCHEMBL6421763

COC(=O)c1ccc2cc(C(=O)OC)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
XDH P47989 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
ALOX15 P16050 3/20 0.49
PARP1 P09874 2/20 0.49
RAB9A P51151 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
CREBBP Q92793 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6421767 0.90 HRH3 (0.56) KIF11XDHKDM4EALDH1A1LMNA
SCHEMBL28415588 0.90 EIF4A3 (0.55) KIF11XDHKDM4EALDH1A1LMNA
SCHEMBL6424303 0.90 KIF11 (0.50) KIF11XDHKDM4EALDH1A1LMNA
SCHEMBL8479941 0.88 GABRA1 (0.47) KIF11XDHKDM4EALDH1A1LMNA
SCHEMBL20612118 0.88 RAB9A (0.48) KIF11XDHKDM4EALDH1A1LMNA
SCHEMBL30694751 0.87 XDH (0.61) KIF11XDHKDM4EALDH1A1LMNA
SCHEMBL16795756 0.85 PLG (0.51) KIF11KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL5881610 0.83 KDM4E (0.61) KIF11XDHKDM4EALDH1A1LMNA
SCHEMBL29919471 0.83 FLT3 (0.59) XDHKDM4EALDH1A1LMNAALOX15
SCHEMBL30460215 0.83 KDM4E (0.61) KIF11XDHKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050178659-A1 Copolymer compound and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2005-08-18 US disclosed