SCHEMBL10729862

SCHEMBL10729862

Nc1ccc(O)c(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.51
FFAR1 O14842 5/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TTR P02766 2/20 0.42
MEN1 O00255 1/20 0.42
PPOX P50336 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HSPA5 P11021 1/20 0.41
HPGD P15428 1/20 0.41
CBR1 P16152 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL7803868 0.85 AR (0.46) MRGPRX4FFAR1TTRMEN1PPOX
SCHEMBL10813750 0.84 ESRRA (0.53) MRGPRX4FFAR1TTRMEN1KMT2A
SCHEMBL9653168 0.84 MRGPRX4 (0.52) MRGPRX4FFAR1TTRMEN1PPOX
SCHEMBL1148949 0.84 MRGPRX4 (0.52) MRGPRX4FFAR1TTRMEN1PPOX
SCHEMBL10707742 0.82 FFAR1 (0.54) MRGPRX4FFAR1TTRMEN1PPOX
SCHEMBL7809458 0.82 TTR (0.47) MRGPRX4FFAR1TTRMEN1PPOX
SCHEMBL9582439 0.80 FFAR1 (0.58) MRGPRX4FFAR1TTRMEN1PPOX
SCHEMBL11447947 0.80 FFAR1 (0.48) MRGPRX4FFAR1TTRMEN1PPOX
SCHEMBL15330042 0.78 MRGPRX4 (0.49) MRGPRX4FFAR1TTRMEN1PPOX
SCHEMBL32669004 0.78 FFAR1 (0.55) MRGPRX4FFAR1TTRMEN1PPOX

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
US-4659360-A HERBICIDES FMC CORPORATION (US) 1987-04-21 US disclosed