SCHEMBL7693067

SCHEMBL7693067

[CH2]CCCCC(=O)OC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.50
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.41
CYP19A1 P11511 2/20 0.40
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.34
RAB9A P51151 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
SCHEMBL7693358 0.98 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8894282 0.98 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8894840 0.98 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7693757 0.98 NAAA (0.67) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8895689 0.98 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8892972 0.98 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8894224 0.98 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8895696 0.98 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7689415 0.98 NAAA (0.67) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7694081 0.98 NAAA (0.67) 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 4 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
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed