SCHEMBL8763139

SCHEMBL8763139

CC(C)(c1ccc(CCNC=S)cc1)c1ccc(CCNC=S)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 13/20 0.41
ESRRB O95718 5/20 0.40
GRIA4 P48058 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
TAAR1 Q96RJ0 2/20 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
SCHEMBL8763624 0.81 ESRRG (0.44) ESRRGESRRBGRIA4NPC1RAB9A
SCHEMBL10434108 0.79 LPL (0.41) NPC1RAB9ACA2TAAR1
SCHEMBL8763891 0.78 TAAR1 (0.39) NPC1RAB9AESR1CYP3A4TSHR
SCHEMBL12614249 0.75 TAAR1 (0.55) NPC1RAB9ATAAR1
SCHEMBL7963483 0.74 NPC1 (0.52) NPC1RAB9ACA1CA2CYP3A4
SCHEMBL8763136 0.68 TAAR1 (0.33) TAAR1
SCHEMBL6434322 0.67 CA2 (0.52) ESRRGESRRBCA1CA2ESR1
SCHEMBL3015673 0.66 ESR1 (0.73) ESRRGESRRBCA2ESR1CYP3A4
SCHEMBL15759265 0.66 GFER (0.64) ESRRGNPC1RAB9AESR1CYP3A4
SCHEMBL23616766 0.66 TAAR1 (0.52) NPC1RAB9ACYP3A4GPR84TAAR1

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
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed