SCHEMBL6957510

SCHEMBL6957510

CC(C)C(Cc1ccc(OCCn2cnc3ccccc3c2=O)cc1)C(N)=S

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
HTT P42858 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RAB9A P51151 3/20 0.53
POLB P06746 3/20 0.52
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.45
LTA4H P09960 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
SCHEMBL6954585 0.83 TNF (0.41) MAPK1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL6955465 0.82 MAPK1 (0.59) MAPK1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL6957506 0.81 MAPK1 (0.58) MAPK1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL8305576 0.81 ACKR3 (0.49) SMN1; SMN2GAACYP2C9HPGDCYP2C19
SCHEMBL6956607 0.80 HTT (0.63) MAPK1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL6955063 0.79 MAPK1 (0.61) MAPK1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL6953552 0.78 HTT (0.61) MAPK1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL6957110 0.78 MAPK1 (0.62) MAPK1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL6555749 0.77 PPARG (0.64) MAPK1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL6952396 0.77 MEN1 (0.46) HTTSMN1; SMN2KMT2AMEN1GAA

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