SCHEMBL7693056

SCHEMBL7693056

[CH2]CCC(=O)OC1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.58
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.47
CYP19A1 P11511 2/20 0.45
EPHX1 P07099 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35
MIF P14174 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6962528 1.00 NAAA (0.58) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL7695140 1.00 NAAA (0.58) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL6968909 0.98 NAAA (0.56) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL7688442 0.94 NAAA (0.52) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL6974307 0.89
SCHEMBL6974479 0.88 NAAA (0.64) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL7688367 0.88 NAAA (0.64) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL7693334 0.88 NAAA (0.64) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL31069913 0.87 NAAA (0.66) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL258780 0.87 NAAA (0.66) NAAACYP2C19HTTCYP19A1EPHX1

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