SCHEMBL9750847

SCHEMBL9750847

CCCCC(C)C(C)OC(C)C(C)CCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
SMPD1 P17405 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 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
SCHEMBL9750716 0.92 OPRM1 (0.46) DNM1OPRM1CA1TSHRFDPS
SCHEMBL11699475 0.90 OPRM1 (0.44) DNM1OPRM1TSHRFDPSLMNA
SCHEMBL27805438 0.90 OPRM1 (0.44) DNM1OPRM1TSHRFDPSLMNA
SCHEMBL11700884 0.90 OPRM1 (0.44) DNM1OPRM1TSHRFDPSLMNA
SCHEMBL9750781 0.90 OPRM1 (0.44) DNM1OPRM1TSHRFDPSLMNA
SCHEMBL8858018 0.82 METAP1 (0.36) TSHR
SCHEMBL15070160 0.81 DNM1 (0.36) DNM1OPRM1ALDH1A1TDP1CA2
SCHEMBL21313400 0.80 DNM1 (0.32) DNM1OPRM1
SCHEMBL3481862 0.79 DNM1 (0.35) DNM1OPRM1ALDH1A1TDP1CA2
SCHEMBL22345156 0.78 DNM1 (0.47) DNM1OPRM1ALDH1A1TDP1CA2

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