SCHEMBL17048871

SCHEMBL17048871

CC[Si](CC)(CC)OC(CN(Cc1cc(F)cc(F)c1)C(=O)c1cnn([C@H]2CC[C@H](C(=O)O)CC2)c1C(F)(F)F)c1c(OC)cccc1OC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.33
LPAR5 Q9H1C0 3/20 0.33
ALDH1A1 P00352 5/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
BACE1 P56817 6/20 0.32
BACE2 Q9Y5Z0 6/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CETP P11597 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
LTC4S Q16873 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL17098475 0.93 EGFR (0.34) LPAR1LPAR5ALDH1A1KDM4ELMNA
SCHEMBL17098472 0.93 EGFR (0.34) LPAR1LPAR5ALDH1A1KDM4ELMNA
SCHEMBL17048962 0.91 ALDH1A1 (0.34) LPAR1LPAR5ALDH1A1TAS2R14BACE1
SCHEMBL17048992 0.84 LPAR1 (0.35) LPAR1LPAR5ALDH1A1TAS2R14KDM4E
SCHEMBL17097660 0.84 LPAR1 (0.35) LPAR1LPAR5ALDH1A1TAS2R14KDM4E
SCHEMBL17099285 0.84 EGFR (0.35) LPAR1LPAR5ALDH1A1KDM4ELMNA
SCHEMBL17099286 0.84 EGFR (0.35) LPAR1LPAR5ALDH1A1KDM4ELMNA
SCHEMBL17048900 0.83 ALDH1A1 (0.32) ALDH1A1TAS2R14MAPT
SCHEMBL17110300 0.83 LPAR1 (0.31) LPAR1LPAR5ALDH1A1MAPT
SCHEMBL17098573 0.82 BACE1 (0.35) ALDH1A1TAS2R14BACE1BACE2MAPT

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-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed