SCHEMBL6953399

SCHEMBL6953399

CCOC(C)(Cc1ccc(OCCn2nnc3ccccc3c2=O)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 5/20 0.47
GPR139 Q6DWJ6 2/20 0.47
HPGD P15428 4/20 0.46
PKM P14618 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL6947592 0.92 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6949609 0.91 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6947078 0.90 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6947290 0.79 NPC1 (0.67) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6945113 0.76 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6955359 0.76 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6952459 0.76 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6952971 0.75 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6955388 0.75 MAPK1 (0.61) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL6950790 0.75 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9APOLBTDP1

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