SCHEMBL4754076

SCHEMBL4754076

COC(COc1[c]cccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PPARG P37231 1/20 0.34
SCN4A P35499 7/20 0.34
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
PMP22 Q01453 1/20 0.31
ABCB1 P08183 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
SCHEMBL11370574 0.80
SCHEMBL14237494 0.78 GRM4 (0.33) HTR2BSCN4ASLC6A4CYP1A2CYP3A4
SCHEMBL9534758 0.77 LMNA (0.41) MEN1CYP2D6KMT2A
SCHEMBL264457 0.75 POLB (0.37) HTR2CHTR2BSCN4ASLC6A4MEN1
SCHEMBL8494386 0.75 CYP2C9 (0.33) TSHR
SCHEMBL1509392 0.75 SCN4A (0.43) HTR2CHTR2BPPARGSCN4ASLC6A4
SCHEMBL6950827 0.73 IGLV6-57 (0.37) HTR2CHTR2BSLC6A4SLC6A2MEN1
SCHEMBL7549734 0.73 FFAR1 (0.33) HTR2CHTR2BPPARGSLC6A4SLC6A2
SCHEMBL20912965 0.73 HTR2C (0.40) HTR2CHTR2BSLC6A4SLC6A2MEN1
SCHEMBL8095037 0.73 HTR2C (0.40) HTR2CHTR2BSLC6A4SLC6A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 WO disclosed
EP-0047902-B1 ACYLPHOSPHINESULFIDE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1984-11-07 EP disclosed