SCHEMBL20008838

SCHEMBL20008838

CC(F)(F)C(OC(=O)c1ccc2cc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)ccc2c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
PTPN1 P18031 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL20008871 0.88 PDCD1 (0.37) NPC1RAB9AUSP2MAPTTSHR
SCHEMBL11953039 0.85 UTS2R (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL20008872 0.83 P4HTM (0.32) NPC1RAB9AUSP2MAPTTSHR
SCHEMBL20008936 0.82 NPC1 (0.33) NPC1RAB9AUSP2MAPTTSHR
SCHEMBL20008836 0.79 CA1 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL18775911 0.78 SMN1; SMN2 (0.38) TSHRMEN1KMT2A
SCHEMBL19846292 0.78
SCHEMBL19961425 0.78 KMT2A (0.36) NPC1RAB9AUSP2MAPTTSHR
SCHEMBL18775779 0.78 CA1 (0.45) NPC1RAB9AMAPTNPSR1MEN1
SCHEMBL18775776 0.78 MEN1 (0.42) NPC1RAB9AMAPTNPSR1MEN1

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-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed