SCHEMBL7520744

SCHEMBL7520744

CCS(=O)(=O)Cc1cccc(SC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
PTPRZ1 P23471 3/20 0.36
PTPN1 P18031 2/20 0.36
RXFP1 Q9HBX9 2/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.32
NTRK1 P04629 1/20 0.32
AKR1B1 P15121 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL27466969 0.92 FFAR4 (0.39) CETPFFAR4UBE2MDCUN1D1LMNA
SCHEMBL512504 0.86 CETP (0.38) CETPFFAR4UBE2MDCUN1D1LMNA
SCHEMBL512503 0.83 FFAR4 (0.37) CETPFFAR4UBE2MDCUN1D1LMNA
SCHEMBL12300586 0.80 CETP (0.41) CETPFFAR4UBE2MDCUN1D1PTPRZ1
SCHEMBL13064250 0.77 CETP (0.40) CETPFFAR4UBE2MDCUN1D1PTPRZ1
SCHEMBL3278395 0.76 CETP (0.42) CETPFFAR4UBE2MDCUN1D1LMNA
SCHEMBL3544087 0.76 FFAR4 (0.45) CETPFFAR4UBE2MDCUN1D1LMNA
SCHEMBL7527885 0.76 LMNA (0.55) LMNAGAAMAPTKDM4EALDH1A1
SCHEMBL513845 0.73 PTPRZ1 (0.39) CETPFFAR4UBE2MDCUN1D1LMNA
SCHEMBL513846 0.73 PTPRZ1 (0.42) CETPFFAR4UBE2MDCUN1D1LMNA

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-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed