SCHEMBL185177

SCHEMBL185177

CCOC(=O)c1cccc(C(=O)OC)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.86
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 3/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GRM5 P41594 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 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
SCHEMBL1478915 0.93 CYP1A2 (1.00) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL69653 0.87 MAPT (0.64) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2832191 0.86 CYP1A2 (0.86) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21639419 0.86 CYP1A2 (0.86) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1545927 0.85 CYP1A2 (0.63) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29031112 0.84 CYP1A2 (0.83) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5452594 0.84 CYP1A2 (0.83) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL22701452 0.84 CYP1A2 (0.83) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL109583 0.84 CYP1A2 (0.82) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9938967 0.83 CYP1A2 (0.80) CYP1A2MAPTSMN1; SMN2NPC1RAB9A

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
EP-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed