SCHEMBL9516735

SCHEMBL9516735

CCCCN1CCOCC1.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.46
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL9520350 0.84 KMT2A (0.58) LMNATDP1MAPK1SIGMAR1ALDH1A1
SCHEMBL11617885 0.82 LMNA (0.52) LMNATDP1MAPK1ALDH1A1HTR2A
SCHEMBL11477082 0.81 POLB (0.52) LMNATDP1ALDH1A1GAAL3MBTL1
SCHEMBL9518191 0.80 MEN1 (0.55) LMNAMAPK1SIGMAR1ALDH1A1CYP1A2
Hexane SCHEMBL28001650 0.79 CA12 (0.46) LMNATDP1ALDH1A1CYP1A2L3MBTL1
SCHEMBL9518528 0.79 TSHR (0.49) LMNATDP1MAPK1SIGMAR1ALDH1A1
SCHEMBL9516934 0.78 RAB9A (0.48) LMNAMAPK1SIGMAR1ALDH1A1CYP1A2
Octane SCHEMBL27658056 0.77 RECQL (0.47) LMNATDP1ALDH1A1CYP1A2L3MBTL1
SCHEMBL27488458 0.75 CA12 (0.41) LMNATDP1ALDH1A1CYP1A2L3MBTL1
SCHEMBL27986542 0.74 ALDH1A1 (0.42) LMNATDP1ALDH1A1CYP1A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252875-B1 MICROBICIDAL AGENT CIBA-GEIGY AG (CH) 1993-01-27 EP claimed