SCHEMBL20007300

SCHEMBL20007300

N#Cc1ccc(O)c(OCC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
TRPV4 Q9HBA0 1/20 0.39
SLC6A9 P48067 1/20 0.39

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
SCHEMBL31294730 0.82 PTGDR2 (0.47) SSTR4MRGPRX4ALDH1A1KDM4EMEN1
SCHEMBL313562 0.82 KIF11 (0.45) SSTR4MRGPRX4ALDH1A1KDM4EMEN1
SCHEMBL31294779 0.82 PTGDR2 (0.45) SSTR4MRGPRX4ALDH1A1KDM4EMEN1
SCHEMBL18528840 0.81 TRPV4 (0.43) SSTR4MRGPRX4ALDH1A1KDM4EMEN1
SCHEMBL7076049 0.81 ALDH1A1 (0.56) SSTR4MRGPRX4ALDH1A1KDM4EMEN1
SCHEMBL31294774 0.81 MRGPRX4 (0.45) MRGPRX4ALDH1A1KDM4EMEN1USP2
SCHEMBL9677946 0.79 SLC6A9 (0.46) SSTR4MRGPRX4ALDH1A1KDM4EMEN1
SCHEMBL5047649 0.78 ALDH1A1 (0.41) SSTR4MRGPRX4ALDH1A1KDM4EMEN1
SCHEMBL3644863 0.78 APP (0.44) MRGPRX4TMPRSS4TRPV4KCNH2APP
SCHEMBL6734969 0.78 TRPV4 (0.56) ALDH1A1KDM4EMEN1MAPTALOX15

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-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed