SCHEMBL30604147

SCHEMBL30604147

CCCCCC(C)c1cc(C(=O)OC(C)(C)C)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.43
TACR3 P29371 2/20 0.42
KDM4E B2RXH2 7/20 0.42
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
ALDH1A1 P00352 2/20 0.40
ACACB O00763 2/20 0.40
ACACA Q13085 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 2/20 0.39

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
SCHEMBL30604068 0.88 PLA2G2A (0.55) PLA2G2ATACR3KDM4EHTR3EHTR3B
SCHEMBL30604090 0.87 TACR3 (0.43) PLA2G2ATACR3KDM4EHTR3EHTR3B
SCHEMBL30604150 0.87 TACR3 (0.43) PLA2G2ATACR3KDM4EHTR3EHTR3B
SCHEMBL30604271 0.87 TACR3 (0.43) PLA2G2ATACR3KDM4EHTR3EHTR3B
SCHEMBL29091050 0.87 TACR3 (0.43) PLA2G2ATACR3KDM4EHTR3EHTR3B
SCHEMBL30604128 0.87 PLA2G2A (0.44) PLA2G2ATACR3KDM4EHTR3EHTR3B
SCHEMBL30604157 0.87 PLA2G2A (0.54) PLA2G2ATACR3KDM4EHTR3EHTR3B
SCHEMBL30604152 0.87 KDM4E (0.51) PLA2G2ATACR3KDM4EALDH1A1LMNA
SCHEMBL29091034 0.85 KDM4E (0.54) TACR3KDM4EALDH1A1LMNAHPGD
SCHEMBL30604135 0.84 PLA2G2A (0.56) PLA2G2ATACR3KDM4EHTR3EHTR3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745291-A N- (2- (4-cyanothiazolidin-3-yl) -2-oxoethyl) -quinoline-4-carboxamide 阿斯利康(瑞典)有限公司 2023-09-12 CN disclosed