SCHEMBL31599609

SCHEMBL31599609

CCC(=O)c1cccc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.61
CES1 P23141 4/20 0.61
BCHE P06276 1/20 0.61
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.43
ALB P02768 1/20 0.42
PDK2 Q15119 1/20 0.42
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
KAT6A Q92794 1/20 0.41
HSP90AB1 P08238 1/20 0.40
RIPK1 Q13546 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL633282 1.00 CES2 (0.61) CES2CES1BCHEHPGDRXFP1
SCHEMBL11836782 0.85 CES2 (0.57) CES2CES1BCHEHPGDALB
SCHEMBL9118756 0.85 CES2 (0.47) CES2CES1BCHEHPGDRXFP1
SCHEMBL1155949 0.83 PTPN1 (0.58) CES2CES1HPGDRXFP1PTPN1
SCHEMBL30036725 0.83 PTPN1 (0.58) CES2CES1HPGDRXFP1PTPN1
SCHEMBL24803066 0.82 KAT6A (0.44) CES2CES1BCHEHPGDPDK2
SCHEMBL4598039 0.82 ALB (0.60) CES2CES1BCHERXFP1ALB
SCHEMBL28089899 0.82 HSP90AB1 (0.47) CES2CES1BCHEHPGDPDK2
SCHEMBL2373430 0.82 CES2 (0.59) CES2CES1BCHEHPGDRXFP1
SCHEMBL13722818 0.82 CES2 (0.63) CES2CES1BCHEHPGDALB

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-120077035-A As CX32,4, 6-Trisubstituted 1,3, 5-triazines as modulators of CR1 阿斯利康(瑞典)有限公司 2025-05-30 CN disclosed