SCHEMBL6950858

SCHEMBL6950858

CC(C)OC(Cc1ccc(OCCn2cnc3ccccc3c2=O)cc1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
HTT P42858 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 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
NPSR1 Q6W5P4 1/20 0.55
RAB9A P51151 2/20 0.50
POLB P06746 6/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL6955465 0.89 MAPK1 (0.59) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6955348 0.81 MAPK1 (0.63) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6555749 0.80 PPARG (0.64) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6556018 0.80 MAPK1 (0.59) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6956607 0.79 HTT (0.63) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6953552 0.78 HTT (0.61) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6957110 0.78 MAPK1 (0.62) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6955063 0.77 MAPK1 (0.61) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6957506 0.77 MAPK1 (0.58) MAPK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL6957510 0.77 MAPK1 (0.57) MAPK1HTTMEN1KMT2ASMN1; 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