SCHEMBL10700271

SCHEMBL10700271

SC(CC(S)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
ACE P12821 1/20 0.41
DPP4 P27487 2/20 0.41
TSHR P16473 2/20 0.41
F2 P00734 1/20 0.41
HRH1 P35367 2/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
GRM7 Q14831 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL11389638 0.85 ACE (0.44) TAAR1ACETSHRHRH1LMNA
SCHEMBL28520520 0.83 LMNA (0.52) ACERAB9ALMNA
SCHEMBL21473270 0.83 LMNA (0.52) ACERAB9ALMNA
SCHEMBL21465109 0.83 LMNA (0.52) ACERAB9ALMNA
SCHEMBL8443421 0.82 HRH1 (0.46) HTR2ATAAR1DPP4TSHRF2
SCHEMBL21473271 0.81 ACE (0.45) HTR2ATAAR1ACETSHRLMNA
SCHEMBL11182324 0.81 ACE (0.49) ACELMNA
SCHEMBL28890672 0.81 TSHR (0.42) HTR2ATAAR1ACEDPP4TSHR
SCHEMBL647478 0.80 HTR2A (0.42) HTR2ATAAR1DPP4TSHRF2
SCHEMBL8727416 0.79 HRH1 (0.39) HTR2ATAAR1DPP4TSHRF2

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-0288202-A2 Fluoro-sulfones MERCK FROSST CANADA INC. (CA) 1988-10-26 EP disclosed
EP-0244164-A1 Stereoselective synthesis of leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1987-11-04 EP disclosed