SCHEMBL6957110

SCHEMBL6957110

CCNC(Cc1ccc(OCCn2cnc3ccccc3c2=O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RAB9A P51151 3/20 0.54
POLB P06746 4/20 0.51
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
TP53 P04637 2/20 0.48
NPC1 O15118 2/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.46

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
SCHEMBL6955063 0.92 MAPK1 (0.61) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6957070 0.91 MAPK1 (0.60) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6945113 0.84 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL6957273 0.84 PPARG (0.47) MAPK1RAB9AITGB1ITGA4
SCHEMBL6555749 0.84 PPARG (0.64) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6956676 0.82 ACKR3 (0.54) SMN1; SMN2GAACYP2C9HPGDCYP2C19
SCHEMBL6953552 0.81 HTT (0.61) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6955348 0.80 MAPK1 (0.63) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6556018 0.79 MAPK1 (0.59) MAPK1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL6956607 0.79 HTT (0.63) 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