SCHEMBL27317023

SCHEMBL27317023

Cc1cccc(C(=O)OC(C)C)c1SCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 5/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL9321500 0.86 NPC1 (0.43) NPC1TSHRL3MBTL1PKMKMT2A
SCHEMBL8822600 0.85 L3MBTL1 (0.58) TSHRL3MBTL1PKMKMT2AALDH1A1
SCHEMBL9523771 0.82 ALDH1A1 (0.51) L3MBTL1PKMKMT2AMEN1ALDH1A1
SCHEMBL277670 0.75 NPC1 (0.56) NPC1KMT2APDCD1CD274CA12
SCHEMBL8636885 0.74 L3MBTL1 (0.41) NPC1TSHRL3MBTL1PKMKMT2A
SCHEMBL9317843 0.74 SMN1; SMN2 (0.40) NPC1TSHRL3MBTL1PKMKMT2A
SCHEMBL9524381 0.72 L3MBTL1 (0.52) TSHRL3MBTL1PKMKMT2AALDH1A1
SCHEMBL9170004 0.71 SMN1; SMN2 (0.49) NPC1L3MBTL1PKMKMT2AMEN1
SCHEMBL137907 0.71 NPC1 (0.62) NPC1TSHRL3MBTL1KMT2APDCD1
SCHEMBL29003949 0.70 CA12 (0.59) NPC1PKMPDCD1CD274CA12

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
CN-1035656-C Fluoroalkoxy amino triazines for control of weeds in sugar beets DU PONT (US) 1997-08-20 CN disclosed