SCHEMBL8484276

SCHEMBL8484276

COc1ccc(C=C(C#N)c2ccccc2[N+](=O)[O-])cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 2/20 0.54
PDE5A O76074 2/20 0.52
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MCL1 Q07820 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 2/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL8484272 1.00 MAPT (0.54) MAPTKMT2AMEN1GAAPDE5A
SCHEMBL8862743 0.86 EGFR (0.49) PDE5ASMN1; SMN2ALDH1A1RECQLHIF1A
SCHEMBL8862745 0.86 EGFR (0.49) PDE5ASMN1; SMN2ALDH1A1RECQLHIF1A
SCHEMBL8863035 0.83 SMN1; SMN2 (0.57) MAPTKMT2AMEN1PDE5ACYP1A2
SCHEMBL8863030 0.83 SMN1; SMN2 (0.57) MAPTKMT2AMEN1PDE5ACYP1A2
SCHEMBL8862963 0.83 ALDH1A1 (0.61) MAPTPDE5ASMN1; SMN2ALDH1A1RECQL
SCHEMBL8862843 0.83 RECQL (0.47) PDE5ASMN1; SMN2ALDH1A1RECQLHIF1A
SCHEMBL8862960 0.83 ALDH1A1 (0.61) MAPTPDE5ASMN1; SMN2ALDH1A1RECQL
SCHEMBL8862866 0.83 PDE4B (0.48) MAPTPDE5ASMN1; SMN2ALDH1A1RECQL
SCHEMBL8863051 0.83 PPARD (0.48) MAPTPDE5ACYP3A4SMN1; SMN2ALDH1A1

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-0640070-B1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-09-10 EP claimed
US-5962492-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-05 US disclosed
US-5723460-A Cyclo (alkyl and alkenyl) phenyl-alkenylyl heteroaryl compounds and pharmaceutical compositions containing same CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-03 US disclosed
EP-0640070-B1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-09-10 EP disclosed
US-5633257-A PHOSPHODIESTERASE INHIBITOR CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-27 US disclosed