SCHEMBL4100772

SCHEMBL4100772

C=CC[CH]CCCCCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.34
HIF1A Q16665 3/20 0.34
EPAS1 Q99814 3/20 0.34
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11070764 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL399787 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL131602 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL2936701 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL1904498 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL104256 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL2326413 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL9220719 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL2998034 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15
SCHEMBL29617258 0.81 TSHR (0.52) LMNATSHRCYP3A4MEN1ALOX15

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
US-7514263-B2 Continuous process for the production of combinatorial libraries of materials 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-04-07 US disclosed
EP-1379329-B1 A CONTINUOUS PROCESS FOR THE PRODUCTION OF COMBINATORIAL LIBRARIES OF MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2008-07-09 EP disclosed
EP-1379329-A2 A CONTINUOUS PROCESS FOR THE PRODUCTION OF COMBINATORIAL LIBRARIES OF MATERIALS 3M Innovative Properties Company (US) 2004-01-14 EP disclosed
US-20030035756-A1 Continuous process for the production of combinatorial libraries of materials 3M INNOVATIVE PROPERTIES COMPANY 2003-02-20 US disclosed
WO-2002081079-A2 A CONTINUOUS PROCESS FOR THE PRODUCTION OF COMBINATORIAL LIBRARIES OF MATERIALS 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-10-17 WO disclosed