SCHEMBL9768118

SCHEMBL9768118

O=C(CNc1ccc(C(F)(F)F)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.49
ALPL P05186 4/20 0.48
ALPG P10696 4/20 0.48
PTGS2 P35354 1/20 0.46
PTPN1 P18031 2/20 0.44
PLAA Q9Y263 1/20 0.44
GSK3B P49841 1/20 0.44
TOP1 P11387 1/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
SNCA P37840 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9768023 0.84 ALPL (0.51) ALPLALPGPTGS2PLAATOP1
SCHEMBL9768082 0.81 ALPL (0.51) ALPLALPGPTGS2PLAATOP1
SCHEMBL9768193 0.81 CA12 (0.61) ALPLALPGPLAATOP1ERCC1
SCHEMBL9768107 0.81 ALPL (0.51) P2RX1ALPLALPGPLAATOP1
SCHEMBL9768260 0.80 ERCC1 (0.60) ALPLALPGPTGS2PTPN1PLAA
SCHEMBL27676491 0.79 RHOC (0.53) P2RX1PTPN1GSK3BMEN1NPC1
SCHEMBL19707556 0.79 RAB9A (0.61) P2RX1PTPN1GSK3BMEN1NPC1
SCHEMBL26978298 0.79 PTPN1 (0.57) P2RX1PTPN1GSK3BMEN1NPC1
SCHEMBL9768092 0.77 CA1 (0.64) ALPLALPGPLAAERCC1ERCC4
SCHEMBL9768311 0.75 ERCC1 (0.51) ALPLALPGPLAAERCC1ERCC4

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed