SCHEMBL3695441

SCHEMBL3695441

COCOc1ccc(C(F)(F)F)cc1Sc1ccc(CC[C@@](C)(CCP(=O)(O)O)NC(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.33
HTR2A P28223 2/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 2/20 0.32
MRGPRX4 Q96LA9 6/20 0.31
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2130605 0.93 AAK1 (0.33) AAK1HTR2ASLC6A4KCNH2MRGPRX4
SCHEMBL2131159 0.91 AAK1 (0.35) AAK1MRGPRX4
SCHEMBL2131156 0.91 AAK1 (0.35) AAK1MRGPRX4
SCHEMBL2130607 0.91 MRGPRX4 (0.34) AAK1MRGPRX4KDM4EHTTKMT2A
SCHEMBL3704110 0.90 PPARG (0.31) HTR2ASLC6A4KCNH2MRGPRX4
SCHEMBL3704113 0.90 PPARG (0.31) HTR2ASLC6A4KCNH2MRGPRX4
SCHEMBL2128848 0.86 MRGPRX4 (0.33) AAK1MRGPRX4KDM4EHTTKMT2A
SCHEMBL2128839 0.86 MRGPRX4 (0.33) AAK1MRGPRX4KDM4EHTTKMT2A
SCHEMBL15354703 0.85 MRGPRX4 (0.31) MRGPRX4KDM4EHTTKMT2A
SCHEMBL2129307 0.84 MRGPRX4 (0.31) MRGPRX4

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-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed