SCHEMBL9750779

SCHEMBL9750779

CCCCCCC(C)COCC(C)CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.47
OPRM1 P35372 1/20 0.44
SPHK1 Q9NYA1 2/20 0.41
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
SMPD1 P17405 3/20 0.38
USP2 O75604 1/20 0.38
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37

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
SCHEMBL28945783 1.00 ACE2 (0.47) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL28614253 1.00 ACE2 (0.47) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL27658942 1.00 ACE2 (0.47) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL28945775 1.00 ACE2 (0.47) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL9750819 0.97 OPRM1 (0.46) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL14646875 0.91 OPRM1 (0.41) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL3314759 0.91 OPRM1 (0.46) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL3320780 0.91 OPRM1 (0.46) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL13061575 0.91 OPRM1 (0.46) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL786298 0.90 CYP3A4 (0.38) ACE2OPRM1LMNADNM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102043339-A Positive radiation-sensitive resin composition, and interlayer insulating film and method for forming the same JSR CORP 2011-05-04 CN disclosed
CN-1205357-A Refrigerating machine oil composition IDEMITSU KOSAN CO (JP) 1999-01-20 CN disclosed
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