SCHEMBL11207479

SCHEMBL11207479

Cc1ccc(S(=O)(=O)OCCCc2cccc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PGR P06401 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSMD10 O75832 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL8206287 0.92 LMNA (0.46) LMNASMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL18934283 0.90 CYP19A1 (0.48) ALDH1A1PSMD10CYP19A1
SCHEMBL18926558 0.85 HTR6 (0.48) SMN1; SMN2ALDH1A1TDP1PSMD10CYP19A1
SCHEMBL18926556 0.85 CNR2 (0.48) SMN1; SMN2ALDH1A1PSMD10CYP19A1
SCHEMBL8780822 0.84 ALDH1A1 (0.44) TAAR1ALDH1A1PSMD10CYP19A1
SCHEMBL8098377 0.84 EGFR (0.49) TAAR1ALDH1A1PSMD10CYP19A1
SCHEMBL8993345 0.83 LMNA (0.50) LMNASMN1; SMN2PGRALDH1A1MAPT
SCHEMBL7723972 0.83 CNR2 (0.54) LMNAALDH1A1MAPTPSMD10TSHR
SCHEMBL7028389 0.83 CNR2 (0.50) LMNAALDH1A1PSMD10
SCHEMBL4375489 0.83 LMNA (0.43) LMNASMN1; SMN2CHRM2CHRM1CHRM3

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-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP disclosed