SCHEMBL6953552

SCHEMBL6953552

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
GAA P10253 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 2/20 0.59
LMNA P02545 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RAB9A P51151 3/20 0.52
POLB P06746 3/20 0.51
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TP53 P04637 1/20 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
SCHEMBL6957506 0.92 MAPK1 (0.58) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6948903 0.91 MAPK1 (0.57) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6952202 0.84 PPARG (0.45) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6956510 0.82 HDAC6 (0.52) HTTSMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL6555749 0.82 PPARG (0.64) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6957110 0.81 MAPK1 (0.62) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6955465 0.79 MAPK1 (0.59) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6956607 0.79 HTT (0.63) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6955730 0.79 NPC1 (0.62) SMN1; SMN2KMT2AALDH1A1RAB9APOLB
SCHEMBL6957510 0.78 MAPK1 (0.57) HTTSMN1; SMN2MEN1KMT2AGAA

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