SCHEMBL8763223

SCHEMBL8763223

CC(Cc1ccccc1CC(C)N=C=S)N=C=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.48
TRPA1 O75762 4/20 0.46
TRPV1 Q8NER1 2/20 0.46
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2A6 P11509 2/20 0.31
CYP2E1 P05181 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP2A13 Q16696 1/20 0.31
EPAS1 Q99814 1/20 0.31
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ADORA2A P29274 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
SCHEMBL8762408 0.82 MIF (0.52) MIFTRPA1TRPV1ALDH1A1CYP3A4
SCHEMBL635638 0.79 GABRA1 (0.39) MIFGABRA1GABRB2HPGDSLC6A2
SCHEMBL6849469 0.78 TRPA1 (0.50) MIFTRPA1TRPV1ALDH1A1CYP3A4
SCHEMBL14254667 0.77 HTR2A (0.59) ALDH1A1CYP3A4HIF1ASLC6A2SLC6A4
SCHEMBL3246197 0.76 TRPA1 (0.43) MIFTRPA1TRPV1ALDH1A1CYP3A4
SCHEMBL8855753 0.71 MIF (0.53) MIFTRPA1TRPV1GABRA1GABRB2
SCHEMBL332408 0.67 MIF (0.65) MIFTRPA1TRPV1GABRA1GABRB2
SCHEMBL840750 0.66 GABRA1 (0.64) TRPA1GABRA1GABRB2CYP2A6SLC6A2
SCHEMBL30350978 0.66 TRPA1 (0.65) MIFTRPA1TRPV1ALDH1A1
SCHEMBL28938422 0.66 MIF (0.43) MIFTRPA1TRPV1ALDH1A1CYP3A4

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 6 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
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed