SCHEMBL8671189

SCHEMBL8671189

CCN(C)S(=O)(=O)c1cc(Cl)ccc1C(=O)OC1=CC(=O)CCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.36
MT-CO2 P00403 2/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8888158 0.80 L3MBTL1 (0.51) ALDH1A1L3MBTL1
SCHEMBL8889284 0.78 ALDH1A1 (0.51) RAB9AALDH1A1L3MBTL1MAPTTSHR
SCHEMBL8628790 0.74 ALDH1A1 (0.41) RAB9AALDH1A1L3MBTL1MAPTTSHR
SCHEMBL8657781 0.74 ALDH1A1 (0.56) RAB9AALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL9820457 0.70 MAPT (0.42) RAB9AALDH1A1MAPTLMNACYP2C19
SCHEMBL6326584 0.69 PDE3B (0.34) ALDH1A1MAPTMT-CO2TSHRSMN1; SMN2
SCHEMBL6695155 0.69 ALDH1A1 (0.32) ALDH1A1MAPTCYP2C19CYP1A2CYP3A4
SCHEMBL6695149 0.69 TRPM8 (0.35) RAB9AALDH1A1
SCHEMBL30230026 0.68 L3MBTL1 (0.35) ALDH1A1L3MBTL1MAPTMT-CO2LMNA
SCHEMBL6151371 0.67 ALDH1A1 (0.33) ALDH1A1MAPTLMNACYP2C19CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850218-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-01 EP disclosed
WO-1997003045-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-30 WO disclosed