SCHEMBL30280774

SCHEMBL30280774

CCc1c(C(=O)OC)ccc(C2CCC2)c1C(N)=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
PTGER4 P35408 1/20 0.34
ALDH1A1 P00352 5/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HTR5A P47898 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
MAPK1 P28482 1/20 0.34
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
GAA P10253 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL30280880 0.84 PTGER4 (0.41) KDM4EPTGER4ALDH1A1ALOX5APFEN1
SCHEMBL28974087 0.81 KDM4E (0.38) KDM4EPTGER4ALDH1A1DRD2DRD4
SCHEMBL30281099 0.79 DRD2 (0.45) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL30281122 0.78 PTGER4 (0.43) KDM4EPTGER4ALDH1A1PDK2PDK4
SCHEMBL30281075 0.78 ALDH1A1 (0.39) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL30280992 0.76 PTGER4 (0.43) KDM4EPTGER4ALDH1A1ALOX5APFEN1
SCHEMBL28974071 0.75 PTGDR2 (0.32) ALDH1A1ALOX5APFEN1GAAMAPT
SCHEMBL12488116 0.75 ALDH1A1 (0.36) KDM4EALDH1A1PDK2PDK4GAA
SCHEMBL28974014 0.75 PDK2 (0.40) KDM4EPTGER4ALDH1A1DRD2DRD4
SCHEMBL8583580 0.74 KDM4E (0.37) KDM4EALDH1A1DRD2DRD4DRD3

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
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed