SCHEMBL6950790

SCHEMBL6950790

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.48
GPR139 Q6DWJ6 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6955359 0.91 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6951977 0.90 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6952971 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6947290 0.81 NPC1 (0.67) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6952459 0.80 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6945113 0.78 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6949134 0.78 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6951980 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6949609 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL6955323 0.76 NPC1 (0.58) SMN1; SMN2NPC1RAB9APOLBALDH1A1

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