SCHEMBL1129372

SCHEMBL1129372

CC(S)Cc1cccc(CC(C)S)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
NPSR1 Q6W5P4 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
SLC6A2 P23975 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
CXCR4 P61073 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 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
SCHEMBL19619989 0.94 GABRA1 (0.38) KCNH2NPSR1PGK1PGK2HRH4
SCHEMBL23870610 0.81 BTK (0.33)
SCHEMBL3625374 0.80 GABRA1 (0.44) KCNH2NPSR1PGK1PGK2HRH4
SCHEMBL20206847 0.76 GABRA1 (0.38) KCNH2NPSR1PGK1PGK2HRH4
SCHEMBL20353179 0.76 GRIN2D (0.52) TAAR1MAOAGRIN2DGRIN3BGRIN1
SCHEMBL28861908 0.74 KCNH2 (0.42) KCNH2NPSR1PGK1PGK2HRH4
SCHEMBL12641681 0.73 KCNH2 (0.41) KCNH2NPSR1HRH4CXCR4NOS1
SCHEMBL22008292 0.71 GABRA1 (0.42) KCNH2NPSR1PGK1PGK2HRH4
SCHEMBL18924306 0.70 KCNH2 (0.52) KCNH2NPSR1CXCR4NOS1NOS2
SCHEMBL23140220 0.70 KCNH2 (0.42) KCNH2NPSR1HRH4NOS1NOS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
EP-2158040-B1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC (US) 2011-02-16 EP disclosed
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed