SCHEMBL6956607

SCHEMBL6956607

NC(=O)C(Cc1ccc(OCCn2cnc3ccccc3c2=O)cc1)Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 2/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPK1 P28482 2/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 3/20 0.53
POLB P06746 3/20 0.50
THRB P10828 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NPC1 O15118 2/20 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
SCHEMBL6955465 0.89 MAPK1 (0.59) HTTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL6555749 0.83 PPARG (0.64) HTTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL6949013 0.83 PPARG (0.47) PPARGPPARA
SCHEMBL6955063 0.82 MAPK1 (0.61) HTTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL6957506 0.82 MAPK1 (0.58) HTTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL6955832 0.81 ACKR3 (0.55) PPARGPPARANPC1
SCHEMBL6556018 0.81 MAPK1 (0.59) HTTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL6955348 0.80 MAPK1 (0.63) HTTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL6957510 0.80 MAPK1 (0.57) HTTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL6950858 0.79 MAPK1 (0.60) HTTKMT2ASMN1; SMN2MEN1GAA

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