SCHEMBL30587103

SCHEMBL30587103

COC(=O)CCC(=O)Nc1ccc(F)cc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
AKT1 P31749 1/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL25556511 1.00 ALDH1A1 (0.51) ALDH1A1POLBHSD17B10MAPTTP53
SCHEMBL1184708 0.90 MAPT (0.51) ALDH1A1POLBHSD17B10MAPTTP53
SCHEMBL31058565 0.89 ALDH1A1 (0.58) ALDH1A1POLBHSD17B10MAPTTP53
SCHEMBL25555717 0.89 ALDH1A1 (0.58) ALDH1A1POLBHSD17B10MAPTTP53
SCHEMBL21794443 0.88 ALDH1A1 (0.50) ALDH1A1POLBHSD17B10MAPTTP53
SCHEMBL29087668 0.84 HSD17B10 (0.67) ALDH1A1POLBHSD17B10MAPTTP53
SCHEMBL6012277 0.83 ALDH1A1 (0.51) ALDH1A1POLBHSD17B10MAPTKDM4E
SCHEMBL28329030 0.83 ALDH1A1 (0.58) ALDH1A1POLBHSD17B10MAPTTP53
SCHEMBL28327811 0.83 HPGD (0.58) ALDH1A1POLBHSD17B10MAPTKDM4E
SCHEMBL6513466 0.83 KMT2A (0.53) ALDH1A1HSD17B10MAPTTP53KDM4E

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-116710442-A Compounds, compositions and methods for treating disorders 成都安泰康赛生物科技有限公司 2023-09-05 CN disclosed