SCHEMBL21087012

SCHEMBL21087012

CNc1cc(Cl)cc(OC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
CNR1 P21554 1/20 0.35
P2RX3 P56373 1/20 0.35
FFAR4 Q5NUL3 3/20 0.33
PLAU P00749 3/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
GLA P06280 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL26739608 0.83 MAPT (0.43) GAAALDH1A1MEN1LMNAMAPT
SCHEMBL12363682 0.81 TSHR (0.42) GAACNR1P2RX3FFAR4HPGD
SCHEMBL8312905 0.78 ALDH1A1 (0.42) GAACNR1FFAR4ALDH1A1MEN1
SCHEMBL15934238 0.77 PLAU (0.36) GAAPLAUF2PLGPLAT
SCHEMBL28656367 0.77 HTR6 (0.34) PLAUF2PLGPLATKLKB1
SCHEMBL16483015 0.74 FFAR4 (0.37) GAACNR1P2RX3FFAR4HPGD
SCHEMBL19088278 0.74 ALDH1A1 (0.48) GAAFFAR4ALDH1A1KMT2ANPSR1
SCHEMBL3783747 0.73 TSHR (0.41) GAAALDH1A1MEN1LMNAMAPT
SCHEMBL463751 0.73 TSHR (0.50) GAAALDH1A1MEN1LMNAMAPT
SCHEMBL16395793 0.73 KCNK3 (0.38) FFAR4PLAUF2PLGPLAT

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-3191445-B1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-12 EP disclosed