SCHEMBL8763272

SCHEMBL8763272

O=CNCCc1ccc(Cc2ccc(CCNC=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ADH1B P00325 2/20 0.40
ADH1A P07327 2/20 0.40
ADH7 P40394 2/20 0.40
ADH1C P00326 1/20 0.40
TAAR1 Q96RJ0 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL8763412 0.93 LMNA (0.50) LMNAADH1BADH1AADH7ADH1C
SCHEMBL2595668 0.83 TAAR1 (0.55) LMNATAAR1CA12CA1CA2
SCHEMBL2701814 0.83 TMEM97 (0.55) LMNATAAR1SIGMAR1TMEM97SMN1; SMN2
SCHEMBL350049 0.83 TAAR1 (0.55) LMNATAAR1CYP3A4CA12CA1
SCHEMBL2807183 0.83 ALDH1A1 (0.50) LMNATAAR1SMN1; SMN2CA12CA1
SCHEMBL23266841 0.83 GFER (0.52) LMNAADH1BADH1AADH7ADH1C
SCHEMBL16404456 0.83 L3MBTL1 (0.50) LMNAADH1BADH1AADH7ADH1C
SCHEMBL10433880 0.83 ADH1B (0.50) LMNAADH1BADH1AADH7ADH1C
SCHEMBL4364954 0.83 LMNA (0.44) LMNAADH1BADH1AADH7ADH1C
SCHEMBL2471353 0.83 LMNA (0.65) LMNATAAR1SMN1; SMN2CYP3A4CA12

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 4 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-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