SCHEMBL6951014

SCHEMBL6951014

CCOC(Cc1ccc(CCn2cnc3ccccc3c2=O)cc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
RECQL P46063 1/20 0.50
MAPK10 P53779 1/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 4/20 0.46
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 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
SCHEMBL6955219 0.85 PPARA (0.50) SMN1; SMN2RECQLMAPK10RAB9ANPC1
SCHEMBL6555749 0.80 PPARG (0.64) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL6556018 0.80 MAPK1 (0.59) SMN1; SMN2RECQLMAPK10RAB9ANPC1
SCHEMBL6955348 0.79 MAPK1 (0.63) SMN1; SMN2RECQLMAPK10RAB9ANPC1
SCHEMBL6953863 0.78 KMT2A (0.49) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL6955465 0.78 MAPK1 (0.59) SMN1; SMN2RAB9ANPC1TP53POLB
SCHEMBL6956607 0.77 HTT (0.63) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL6952459 0.75 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1POLBKMT2A
SCHEMBL5748829 0.75 POLB (0.64) SMN1; SMN2POLBKMT2ATHRBMAPK1
SCHEMBL6955063 0.73 MAPK1 (0.61) SMN1; SMN2RECQLMAPK10RAB9ANPC1

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