SCHEMBL9750894

SCHEMBL9750894

CCC(C)(C)CCCOCCCC(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13614291 0.93 TSHR (0.36) TSHRMEN1THRBHTTKMT2A
SCHEMBL9750723 0.92 MEN1 (0.34) TSHRHRH3MEN1THRBHTT
SCHEMBL13195976 0.90 ALDH1A1 (0.36) TSHRHRH3
SCHEMBL9750836 0.90 MEN1 (0.38) TSHRHRH3MEN1THRBHTT
SCHEMBL18737001 0.89
SCHEMBL12254995 0.89 CYP3A4 (0.33) TSHRMEN1THRBHTTKMT2A
SCHEMBL6899166 0.85 TSHR (0.40) TSHRMEN1THRBHTTKMT2A
SCHEMBL22268711 0.85 MEN1 (0.32) MEN1THRBHTTKMT2AMAPT
SCHEMBL22268771 0.83 CES2 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL9750693 0.82 TSHR (0.33) TSHRTDP1

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