SCHEMBL20195657

SCHEMBL20195657

Cc1ccc(C)c(OCc2c(C(=O)Cl)cccc2C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.36
CD38 P28907 3/20 0.36
CYP3A4 P08684 2/20 0.36
KCNH2 Q12809 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.34
SSTR4 P31391 1/20 0.34
CTSS P25774 2/20 0.34
SORT1 Q99523 1/20 0.34
RBP4 P02753 2/20 0.34
PTGES O14684 2/20 0.34
TTR P02766 1/20 0.34
CTSK P43235 1/20 0.33
DHODH Q02127 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL20195479 0.83 KMT2A (0.38) CD38CYP3A4
SCHEMBL20195491 0.79 SSTR4 (0.40) P2RX7KCNH2CNR2SSTR4
SCHEMBL20195623 0.74 MCL1 (0.42) CD38CYP3A4SORT1TTRDHODH
SCHEMBL20195659 0.71 CLCN2 (0.40) CD38HPGDSORT1
SCHEMBL18504372 0.71 STIM1 (0.34) P2RX7CTSSRBP4CTSK
SCHEMBL20195619 0.71 KMT2A (0.41) HPGD
SCHEMBL22564334 0.70 STIM1 (0.33) P2RX7CTSSRBP4CTSK
SCHEMBL20195628 0.70 TP53 (0.44) HPGD
SCHEMBL20195656 0.69 L3MBTL1 (0.50) P2RX7CNR2
SCHEMBL17788258 0.69 MRGPRX4 (0.43)

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed