SCHEMBL20103809

SCHEMBL20103809

COc1cccc(OC)c1C(=O)CN(Cc1cc(F)cc(F)c1)C(=O)c1cnn([C@H]2CC[C@H](C(O)O)CC2)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
HCRTR2 O43614 6/20 0.32
KLKB1 P03952 1/20 0.32
HCRTR1 O43613 7/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CETP P11597 1/20 0.31
HTR2A P28223 2/20 0.31
HTR7 P34969 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL17048992 0.90 LPAR1 (0.35) LPAR1LPAR5HCRTR2KLKB1HCRTR1
SCHEMBL17097660 0.90 LPAR1 (0.35) LPAR1LPAR5HCRTR2KLKB1HCRTR1
SCHEMBL17099186 0.88 EGFR (0.36) LPAR1LPAR5KLKB1MEN1KMT2A
SCHEMBL17099185 0.88 EGFR (0.36) LPAR1LPAR5KLKB1MEN1KMT2A
SCHEMBL17048970 0.86 ALDH1A1 (0.34) LPAR1LPAR5HCRTR2MEN1KMT2A
SCHEMBL17048972 0.86 ALDH1A1 (0.34) LPAR1LPAR5HCRTR2MEN1KMT2A
SCHEMBL17098141 0.86 ALDH1A1 (0.35) LPAR1LPAR5KLKB1MEN1KMT2A
SCHEMBL17098144 0.86 ALDH1A1 (0.35) LPAR1LPAR5KLKB1MEN1KMT2A
SCHEMBL17097524 0.84 POLB (0.35) LPAR1LPAR5KLKB1MEN1KMT2A
SCHEMBL17097522 0.84 POLB (0.35) LPAR1LPAR5KLKB1MEN1KMT2A

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-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed