SCHEMBL8679559

SCHEMBL8679559

CCCCC(P)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 8/20 0.43
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41

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
SCHEMBL1627645 0.94 CSNK1E (0.54) CSNK1ECNR2SIGMAR1
SCHEMBL4750483 0.88 SIGMAR1 (0.46) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL21112166 0.82 SIGMAR1 (0.50) SIGMAR1
SCHEMBL7147691 0.79 CSNK1E (0.50) CSNK1ECNR2SIGMAR1SLC6A2TAAR1
SCHEMBL15562699 0.79 CSNK1E (0.50) CSNK1ECNR2SIGMAR1SLC6A2TAAR1
SCHEMBL14431423 0.79 TRPA1 (0.50) SIGMAR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL9007218 0.78 EPHX1 (0.55) SIGMAR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6824286 0.78 CSNK1E (0.49) CSNK1ECNR2SIGMAR1SLC6A2TAAR1
SCHEMBL28131459 0.77 OPRK1 (0.46) CSNK1ECNR2SIGMAR1SLC6A2SLC6A4
SCHEMBL4953348 0.76 CTSK (0.51) CSNK1ECNR2SIGMAR1SLC6A2TAAR1

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-0737665-B1 Process for preparation of diaryl carbonate UBE INDUSTRIES (JP) 1998-10-21 EP disclosed
EP-0737665-A1 Process for preparation of diaryl carbonate UBE INDUSTRIES, LTD. (JP) 1996-10-16 EP disclosed