SCHEMBL9750716

SCHEMBL9750716

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
SMPD1 P17405 3/20 0.39
CA1 P00915 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL27805438 0.97 OPRM1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL11700884 0.97 OPRM1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL9750781 0.97 OPRM1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL11699475 0.97 OPRM1 (0.44) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL9750847 0.92 DNM1 (0.38) OPRM1SMPD1CA1LMNADNM1
SCHEMBL8858018 0.80 METAP1 (0.36) TSHR
SCHEMBL13962830 0.80 OPRM1 (0.42) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL3481471 0.80 OPRM1 (0.42) OPRM1SMPD1CA1SPHK1LMNA
SCHEMBL13324794 0.80 OPRM1 (0.42) OPRM1SMPD1SPHK1LMNADNM1
SCHEMBL13858888 0.80 OPRM1 (0.58) OPRM1SMPD1CA1SPHK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284005-B1 METHOD OF PRODUCTION OF POLYOLEFINS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-12-18 EP disclosed
US-4981930-A POLYMERIZATION CATALYSTS IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-01-01 US disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 EP disclosed