SCHEMBL6945113

SCHEMBL6945113

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
GPR139 Q6DWJ6 3/20 0.53
POLB P06746 2/20 0.52
MMP1 P03956 2/20 0.51
MMP2 P08253 2/20 0.51
MMP3 P08254 2/20 0.51
MMP9 P14780 2/20 0.51
MMP13 P45452 2/20 0.51
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.46
PKM P14618 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
SCHEMBL6949134 0.92 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AGPR139POLB
SCHEMBL6947290 0.84 NPC1 (0.67) SMN1; SMN2NPC1RAB9APOLBPPARG
SCHEMBL6957110 0.84 MAPK1 (0.62) SMN1; SMN2NPC1RAB9APOLBITGB1
SCHEMBL6955359 0.83 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AGPR139POLB
SCHEMBL6956676 0.81 ACKR3 (0.54) SMN1; SMN2ITGB1ITGA4TDP1KDM4E
SCHEMBL6952971 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AGPR139POLB
SCHEMBL6951980 0.80 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGPR139POLB
SCHEMBL6952459 0.80 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AGPR139POLB
SCHEMBL6951977 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AGPR139POLB
SCHEMBL6950790 0.78 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGPR139POLB

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