SCHEMBL6956589

SCHEMBL6956589

CCOC(=O)C(Cc1ccc(OCCn2cnc3ccccc3c2=O)cc1)(OC)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
LMNA P02545 3/20 0.55
HTT P42858 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.50
RECQL P46063 1/20 0.49
MAPK10 P53779 1/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.44
MAPT P10636 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
SCHEMBL6955850 0.91 HTT (0.53) MAPK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6949189 0.85 MAPK1 (0.57) MAPK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6947610 0.81 MAPK1 (0.56) MAPK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6950511 0.80 NPC1 (0.55) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL6556018 0.76 MAPK1 (0.59) MAPK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6955388 0.76 MAPK1 (0.61) MAPK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6955348 0.76 MAPK1 (0.63) MAPK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6957070 0.75 MAPK1 (0.60) MAPK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6948903 0.75 MAPK1 (0.57) MAPK1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL6949965 0.74 PPARA (0.35) NPSR1KMT2AMEN1ALDH1A1HPGD

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