SCHEMBL7069948

SCHEMBL7069948

O=C(O)C=Cc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ITGB2 P05107 2/20 0.49
ICAM1 P05362 2/20 0.49
ITGAL P20701 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
MAPT P10636 2/20 0.49
TBXA2R P21731 1/20 0.49
PTGFR P43088 1/20 0.49
PTGIR P43119 1/20 0.49
PTGDR Q13258 1/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL7069945 1.00 TSHR (0.53) TSHRCASP1SMN1; SMN2ITGB2ICAM1
SCHEMBL7770050 0.88 MAPT (0.44) TSHRCASP1SMN1; SMN2ITGB2ICAM1
SCHEMBL30480708 0.86 MAPT (0.47) TSHRCASP1SMN1; SMN2ITGB2ICAM1
SCHEMBL615861 0.86 MAPT (0.47) TSHRCASP1SMN1; SMN2ITGB2ICAM1
SCHEMBL615860 0.86 MAPT (0.47) TSHRCASP1SMN1; SMN2ITGB2ICAM1
SCHEMBL1196433 0.82 ABL1 (0.54) SMN1; SMN2ITGB2ICAM1ITGALPTGER3
SCHEMBL1196428 0.82 ABL1 (0.54) SMN1; SMN2ITGB2ICAM1ITGALPTGER3
SCHEMBL7068587 0.82 ALDH1A1 (0.48) TSHRCASP1SMN1; SMN2MAPTALDH1A1
SCHEMBL7068592 0.82 ALDH1A1 (0.48) TSHRCASP1SMN1; SMN2MAPTALDH1A1
SCHEMBL29406682 0.81 PTGER3 (0.55) SMN1; SMN2ITGB2ICAM1ITGALPTGER3

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
EP-1105367-B1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS BAYER AG (DE) 2003-06-18 EP claimed
US-6455725-B1 Substituted cinnamic acids and cinnamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US claimed
US-6455725-B1 Substituted cinnamic acids and cinnamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed