SCHEMBL7688442

SCHEMBL7688442

[CH2]CCC(=O)OC1CCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.52
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.41
CYP19A1 P11511 2/20 0.40
EPHX1 P07099 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TPSAB1 Q15661 2/20 0.32
PRSS1 P07477 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6968909 0.96 NAAA (0.56) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7695140 0.94 NAAA (0.58) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL6962528 0.94 NAAA (0.58) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7693056 0.94 NAAA (0.58) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL6974307 0.91
SCHEMBL4350892 0.91 NAAA (0.45) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7688728 0.88 NAAA (0.58) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL28448079 0.86 NAAA (0.59) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7694069 0.86 NAAA (0.61) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7692752 0.84 NAAA (0.64) 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
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
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
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed