SCHEMBL7688728

SCHEMBL7688728

[CH2]CCCC(=O)OC1CCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.47
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.39
CYP19A1 P11511 2/20 0.38
EPHX1 P07099 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TPSAB1 Q15661 2/20 0.33
TPSD1 Q9BZJ3 2/20 0.33
TPSG1 Q9NRR2 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6971543 0.96 NAAA (0.62) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7693334 0.94 NAAA (0.64) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL6974479 0.94 NAAA (0.64) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7688367 0.94 NAAA (0.64) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7694069 0.94 NAAA (0.61) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7692752 0.92 NAAA (0.64) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL6247165 0.92 NAAA (0.52) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7693067 0.90 NAAA (0.66) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7693757 0.89 NAAA (0.67) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8895689 0.89 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTCYP19A1

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-6337305-B1 HERBICIDES FOR AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2002-01-08 US disclosed
EP-0968188-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-01-05 EP disclosed
WO-1998042671-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed