SCHEMBL6947610

SCHEMBL6947610

CCOC(=O)C(CC)(OCC)C(=O)OCc1ccc(OCCn2cnc3ccccc3c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
HTT P42858 4/20 0.56
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 4/20 0.54
POLB P06746 4/20 0.51
RECQL P46063 1/20 0.50
MAPK10 P53779 1/20 0.50
NPC1 O15118 3/20 0.48
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL6949189 0.86 MAPK1 (0.57) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6956589 0.81 MAPK1 (0.58) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6955850 0.79 HTT (0.53) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6953586 0.79 TNF (0.51) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL6556018 0.77 MAPK1 (0.59) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6955388 0.77 MAPK1 (0.61) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6957070 0.76 MAPK1 (0.60) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6948903 0.76 MAPK1 (0.57) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6955348 0.75 MAPK1 (0.63) MAPK1HTTLMNANPSR1SMN1; SMN2
SCHEMBL6555749 0.74 PPARG (0.64) MAPK1HTTLMNANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed