SCHEMBL20008936

SCHEMBL20008936

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRB2 P47870 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
SCHEMBL20008838 0.82 NPC1 (0.37) NPC1RAB9AUSP2MAPTTSHR
SCHEMBL11953039 0.82 UTS2R (0.41) NPC1RAB9AMAPTUTS2RGABBR2
SCHEMBL20009240 0.76 PARP10 (0.44) NPC1RAB9AMAPTNPSR1MEN1
SCHEMBL18775680 0.75 POLB (0.42) NPC1RAB9AKMT2A
SCHEMBL18891092 0.75 KMT2A (0.36) MAPTUTS2RMEN1KMT2A
SCHEMBL18775911 0.75 SMN1; SMN2 (0.38) TSHRMEN1KMT2A
SCHEMBL19954354 0.75 KMT2A (0.36) UTS2RMEN1KMT2A
SCHEMBL19846292 0.74
SCHEMBL18775874 0.74 UTS2R (0.38) NPC1RAB9AUTS2RMEN1KMT2A
SCHEMBL18775776 0.74 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