SCHEMBL6947078

SCHEMBL6947078

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
POLB P06746 2/20 0.52
GPR139 Q6DWJ6 3/20 0.47
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 3/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6953399 0.90 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9APOLBGPR139
SCHEMBL6947592 0.89 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9APOLBGPR139
SCHEMBL6949609 0.89 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9APOLBGPR139
SCHEMBL6955388 0.85 MAPK1 (0.61) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL6956124 0.82 ACKR3 (0.50) SMN1; SMN2TDP1MAPTHPGDMAPK1
SCHEMBL6950757 0.79 TNF (0.45) SMN1; SMN2RAB9APOLBALDH1A1TDP1
SCHEMBL6952404 0.78 TNF (0.46) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL6957101 0.77 L3MBTL1 (0.45) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL6952971 0.75 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9APOLBGPR139
SCHEMBL6947290 0.75 NPC1 (0.67) SMN1; SMN2NPC1RAB9APOLB

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