SCHEMBL6948903

SCHEMBL6948903

CCOC(=O)C(Cc1ccc(OCCn2cnc3ccccc3c2=O)cc1)SC(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
HTT P42858 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 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
LMNA P02545 3/20 0.55
RAB9A P51151 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RECQL P46063 1/20 0.51
MAPK10 P53779 1/20 0.51
POLB P06746 4/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.45

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
SCHEMBL6953552 0.91 HTT (0.61) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6957506 0.90 MAPK1 (0.58) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6957154 0.85 TNF (0.49) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6556018 0.85 MAPK1 (0.59) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6957070 0.84 MAPK1 (0.60) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6955376 0.83 ACKR3 (0.49) SMN1; SMN2HTTGAACYP2C9HPGD
SCHEMBL6955348 0.81 MAPK1 (0.63) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6555749 0.80 PPARG (0.64) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6955465 0.78 MAPK1 (0.59) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6957110 0.78 MAPK1 (0.62) MAPK1SMN1; SMN2HTTMEN1KMT2A

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