SCHEMBL7688367

SCHEMBL7688367

[CH2]CCCC(=O)OC1CCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.64
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.45
CYP19A1 P11511 2/20 0.42
EPHX1 P07099 2/20 0.42
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
EPHX2 P34913 1/20 0.35
TSHR P16473 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
SCHEMBL7693334 1.00 NAAA (0.64) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL6974479 1.00 NAAA (0.64) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL6971543 0.98 NAAA (0.62) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7693757 0.94 NAAA (0.67) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7694081 0.94 NAAA (0.67) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7689415 0.94 NAAA (0.67) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7688728 0.94 NAAA (0.58) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7694024 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL8894303 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL8894124 0.93 NAAA (0.70) NAAACYP2C19SMN1; SMN2HTTCYP19A1

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 5 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
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed