SCHEMBL4632058

SCHEMBL4632058

CCCCCCCCC(N)(N)C(C)N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SMPD1 P17405 4/20 0.42
FDPS P14324 2/20 0.42
SPHK1 Q9NYA1 1/20 0.40
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
DNM1 Q05193 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
GGPS1 O95749 1/20 0.35

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
SCHEMBL5791123 1.00 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL7718828 1.00 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL25270758 0.83 SMPD1 (0.43) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL25276792 0.83 SMPD1 (0.43) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL11521706 0.83 SMPD1 (0.43) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL15573847 0.81 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL8071809 0.81 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL19253997 0.81 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL11792783 0.81 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL28732851 0.80 FDPS (0.41) OPRM1SMPD1FDPSSPHK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922925-A2 Liquid disinfection compound and its application Gerhard Ruff GmbH (DE) 2008-05-21 EP disclosed