SCHEMBL8071809

SCHEMBL8071809

CCCCCCCCCCCCCCC(N)(CCCCCCCCCCCC)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
SCHEMBL15573847 1.00 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL19253997 1.00 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL11792783 1.00 OPRM1 (0.42) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL9508445 0.90 OPRM1 (0.40) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL9494558 0.88 FAAH (0.44) SPHK1THRBMEN1KMT2AALDH1A1
SCHEMBL3794088 0.86 FDPS (0.40) SMPD1FDPSSPHK1GGPS1
Fluoride SCHEMBL439611 0.84 FDPS (0.39) SMPD1FDPSSPHK1GGPS1
SCHEMBL18894066 0.84 OPRM1 (0.41) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL11230098 0.84 OPRM1 (0.41) OPRM1SMPD1FDPSSPHK1TSHR
SCHEMBL13970557 0.84 OPRM1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017668-A1 METHOD FOR PRODUCING GLUCOPROTAMINES Cognis Deutschland GmbH (DE) 2000-07-12 EP disclosed
WO-1999015496-A1 METHOD FOR PRODUCING GLUCOPROTAMINES COGNIS DEUTSCHLAND GMBH (DE) 1999-04-01 WO disclosed
EP-0156275-B1 ANTIMICROBIALLY ACTIVE SUBSTANCES, THEIR PREPARATION AND THEIR USE Henkel Kommanditgesellschaft auf Aktien (DE) 1989-06-07 EP disclosed
EP-0156275-A2 Antimicrobially active substances, their preparation and their use Henkel Kommanditgesellschaft auf Aktien (DE) 1985-10-02 EP disclosed