SCHEMBL7068587

SCHEMBL7068587

COC(=O)/C=C/c1cc(Cl)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
ABL1 P00519 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRIK1 P39086 2/20 0.42
TTR P02766 1/20 0.42

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
SCHEMBL7068592 1.00 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7770050 0.96 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7071709 0.88 ABL1 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7071713 0.88 ABL1 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7071660 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7071396 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7069945 0.82 TSHR (0.53) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL7069948 0.82 TSHR (0.53) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL30970424 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3167924 0.80 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E

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-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
EP-1105367-B1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS BAYER AG (DE) 2003-06-18 EP disclosed
US-6455725-B1 Substituted cinnamic acids and cinnamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
EP-1105367-A1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS Bayer Aktiengesellschaft (DE) 2001-06-13 EP disclosed
WO-2000010963-A1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed