SCHEMBL28252014

SCHEMBL28252014

CCCCCC(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.47
OPRM1 P35372 1/20 0.39
LMNA P02545 1/20 0.36
DNM1 Q05193 2/20 0.35
CA2 P00918 1/20 0.34
FDPS P14324 3/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
GPR84 Q9NQS5 2/20 0.32

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
SCHEMBL11051517 0.92 SMPD1 (0.39) SMPD1DNM1CA2FDPSTSHR
SCHEMBL6379125 0.81
SCHEMBL13705649 0.79 SMPD1 (0.43) SMPD1CA2PRSS1CTSGCTRB1
SCHEMBL24627492 0.78 SMPD1 (0.41) SMPD1OPRM1LMNADNM1CA2
SCHEMBL24627696 0.78 SMPD1 (0.41) SMPD1OPRM1LMNADNM1CA2
SCHEMBL4030538 0.76 SMPD1 (0.39) SMPD1OPRM1CA2FDPSPRSS1
SCHEMBL12132123 0.76 OPRM1 (0.46) SMPD1OPRM1LMNA
SCHEMBL5857518 0.76 OPRM1 (0.36) SMPD1OPRM1LMNADNM1CA2
SCHEMBL510082 0.76 SMPD1 (0.44) SMPD1OPRM1LMNADNM1CA2
SCHEMBL22518413 0.76 OPRM1 (0.36) SMPD1OPRM1LMNADNM1CA2

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
CN-105474084-B Liquid crystal sealing agent and method for manufacturing liquid crystal display panel 三井化学株式会社 2018-10-16 CN disclosed