SCHEMBL8762286

SCHEMBL8762286

CC(Cc1ccccc1CC(C)OC#N)OC#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAOB P27338 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 2/20 0.31
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CTSS P25774 2/20 0.30
CTSK P43235 2/20 0.30
TSHR P16473 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
SCHEMBL8763341 0.83 MAOB (0.49) CYP1A2MAOBSLC6A2SLC6A4TAAR1
SCHEMBL6900865 0.78 GABRA1 (0.38) GABRA1GABRB2KMT2ASLC6A2SLC6A4
SCHEMBL8855732 0.72 ADRA2A (0.33) CYP1A1CYP1A2CYP1B1SLC6A2SLC6A4
SCHEMBL6358266 0.71 GABRA1 (0.41) GABRA1GABRB2LMNASLC6A2SLC6A4
SCHEMBL8763083 0.71 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1MAOBGABRA1
SCHEMBL8762226 0.69 GABRA1 (0.36) CYP1A2GABRA1GABRB2KMT2ALMNA
SCHEMBL15333281 0.68 ALDH1A1 (0.39) MAOBLMNASLC6A2SLC6A4TAAR1
SCHEMBL18437858 0.67 PBRM1 (0.36) MAOBKMT2ASLC6A4TAAR1TSHR
SCHEMBL19824384 0.67 KMT2A (0.36) CYP1A1CYP1A2CYP1B1KMT2ASLC6A2
SCHEMBL8763195 0.67 CYP1A1 (0.34) CYP1A1CYP1A2CYP1B1MAOBGABRA1

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