SCHEMBL7071709

SCHEMBL7071709

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.54
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GLA P06280 1/20 0.47
HTT P42858 1/20 0.45
NR4A2 P43354 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7071713 1.00 ABL1 (0.54) ABL1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL7068592 0.88 ALDH1A1 (0.48) ABL1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL1196433 0.88 ABL1 (0.54) ABL1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL7068587 0.88 ALDH1A1 (0.48) ABL1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL1196428 0.88 ABL1 (0.54) ABL1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL7770050 0.84 MAPT (0.44) ABL1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL30970424 0.81 ALDH1A1 (0.50) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL16960449 0.81 ABL1 (0.60) ABL1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL2420654 0.81 ABL1 (0.60) ABL1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL3167942 0.80 MAPT (0.49) ABL1ALDH1A1HPGDMAPTCYP1A2

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