SCHEMBL7839552

SCHEMBL7839552

CCCCCCCCCC(CCCCCC)[Si](OCC)(OCC)OCC.CCO[Si](C)(OCC)OCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
LMNA P02545 1/20 0.33
DNM1 Q05193 2/20 0.32
SMPD1 P17405 3/20 0.32
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
FDPS P14324 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL1616000 0.92 OPRM1 (0.41) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL27196327 0.92 OPRM1 (0.41) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL4338991 0.92 OPRM1 (0.41) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL4814544 0.92 OPRM1 (0.41) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL28518503 0.92 OPRM1 (0.41) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL31129088 0.90 DNM1 (0.41) OPRM1LMNADNM1SMPD1TSHR
Fluoride SCHEMBL28234875 0.90 OPRM1 (0.39) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL28520301 0.84 OPRM1 (0.38) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL29048091 0.84 OPRM1 (0.38) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL29013718 0.83 DNM1 (0.43) OPRM1DNM1TSHRFDPSSPHK1

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-0634459-B1 Formulations MERCK PATENT GMBH (DE) 2001-04-11 EP disclosed
EP-0634459-A2 Formulations MERCK PATENT GmbH (DE) 1995-01-18 EP disclosed