SCHEMBL6957890

SCHEMBL6957890

COC(=O)Cc1cc(C)oc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
GLA P06280 2/20 0.41
GAA P10253 3/20 0.40
HSP90AB1 P08238 1/20 0.39
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
PTGER4 P35408 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL6957884 0.86 PTGER4 (0.33) ALDH1A1GAAPTGER4MAPTSMN1; SMN2
SCHEMBL6969363 0.80 ALOX5 (0.47) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8272925 0.77 NQO1 (0.34) ALDH1A1PTGER4ALOX5
SCHEMBL2279816 0.75 SLC6A4 (0.35) PTGER4ALOX5
SCHEMBL23789077 0.75 ACKR3 (0.38) ALDH1A1HPGDPTGER4MAPTSMN1; SMN2
SCHEMBL27584938 0.75 MCHR1 (0.46) KDM4EALDH1A1HPGDPTGER4MAPT
SCHEMBL27584946 0.75 MCHR1 (0.39) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL19403995 0.74 DDR1 (0.39) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23789078 0.74 ERCC1 (0.40) MAPTLMNA
SCHEMBL16373610 0.73 SLC6A4 (0.37)

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed