SCHEMBL9750723

SCHEMBL9750723

CCC(C)(C)CCCCOCCCCC(C)(C)CC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9750836 0.97 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL9750894 0.92 TSHR (0.35) MEN1THRBHTTKMT2AMAPT
SCHEMBL6259336 0.85 MEN1 (0.39) MEN1THRBHTTKMT2AMAPT
SCHEMBL22268771 0.85 CES2 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL13614291 0.85 TSHR (0.36) MEN1THRBHTTKMT2AMAPT
SCHEMBL27160388 0.83 TDP1 (0.40) TSHRFFAR1CPT2TDP1
SCHEMBL22268711 0.83 MEN1 (0.32) MEN1THRBHTTKMT2AMAPT
SCHEMBL13195976 0.82 ALDH1A1 (0.36) HRH3TSHR
SCHEMBL27826109 0.82 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL18737001 0.81

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