SCHEMBL7326299

SCHEMBL7326299

COc1ccc(C=C(C)/C=C/C=C/C(=O)O)cc1OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.53
PDE4D Q08499 9/20 0.53
PDE4A P27815 8/20 0.53
PDE4C Q08493 8/20 0.53
MAPK14 Q16539 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL7328445 0.89 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7324806 0.87 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL7324802 0.87 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL30025682 0.84 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL5363123 0.84 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5363118 0.84 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7301099 0.84 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL7301103 0.84 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL7938329 0.83 GAA (0.60) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5351545 0.83 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CMAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US claimed
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US disclosed
US-4971959-A Trisubstituted phenyl analogs having activity for congestive heart failure WARNER-LAMBERT COMPANY (US) 1990-11-20 US disclosed