SCHEMBL6955912

SCHEMBL6955912

CC(C)OC(Cc1ccc(CCCn2nnc3ccccc3c2=O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.50
GPR139 Q6DWJ6 7/20 0.48
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6948981 0.91 ALDH1A1 (0.50) KMT2AKDM4ENPSR1ALDH1A1LMNA
SCHEMBL6956586 0.88 ALDH1A1 (0.50) KMT2AKDM4ENPSR1ALDH1A1LMNA
SCHEMBL6945048 0.82 NPC1 (0.46) KMT2AKDM4ESMN1; SMN2
SCHEMBL6953863 0.82 KMT2A (0.49) KMT2AKDM4ENPSR1ALDH1A1LMNA
SCHEMBL6952660 0.80 NPC1 (0.45) KMT2AKDM4ESMN1; SMN2
SCHEMBL6947290 0.75 NPC1 (0.67) SMN1; SMN2
SCHEMBL6949260 0.74 NPC1 (0.43) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL4872025 0.73 KMT2A (0.56) KMT2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6953738 0.73 NPC1 (0.42) KMT2AKDM4EALDH1A1GPR139HSD17B10
SCHEMBL18787411 0.71 KMT2A (0.67) KMT2AKDM4ENPSR1ALDH1A1LMNA

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