SCHEMBL4455829

SCHEMBL4455829

CCNC(=O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.46
TMPRSS4 Q9NRS4 2/20 0.46
P2RX4 Q99571 2/20 0.46
P2RX7 Q99572 2/20 0.46
SORT1 Q99523 3/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
CFTR P13569 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CES2 O00748 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ESRRG P62508 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 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
SCHEMBL13752999 0.84 PPARD (0.50) ESRRGKDM4EHTT
SCHEMBL13753082 0.84 CES2 (0.60) SORT1ALDH1A1POLBCFTRMRGPRX4
SCHEMBL8980575 0.83 ALDH1A1 (0.54) P2RX1TMPRSS4P2RX4P2RX7SORT1
SCHEMBL10524850 0.82 ALDH1A1 (0.61) P2RX1TMPRSS4P2RX4P2RX7ALDH1A1
SCHEMBL1822050 0.82 MRGPRX4 (0.46) P2RX1TMPRSS4P2RX4P2RX7SORT1
SCHEMBL1822980 0.82 SORT1 (0.46) P2RX1TMPRSS4P2RX4P2RX7SORT1
SCHEMBL13753003 0.81 DDR1 (0.58) TMPRSS4SORT1ALDH1A1POLBMRGPRX4
SCHEMBL13753088 0.81 CES2 (0.60) TMPRSS4SORT1ALDH1A1POLBMRGPRX4
SCHEMBL13753890 0.80 JAK2 (0.57) P2RX7MEN1KMT2AMRGPRX4CRHR2
SCHEMBL13754025 0.80 CCR2 (0.52) ALDH1A1CFTRKDM4EHPGDHSD17B10

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
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 WO claimed