SCHEMBL7694081

SCHEMBL7694081

[CH2]CCCCC(=O)OC1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.49
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.44
CYP19A1 P11511 2/20 0.41
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 2/20 0.36
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7689415 1.00 NAAA (0.67) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7693757 1.00 NAAA (0.67) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8894124 0.98 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8894303 0.98 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8896978 0.98 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7694024 0.98 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8893818 0.98 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL6881386 0.98 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8895102 0.98 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7691549 0.98 NAAA (0.70) 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