SCHEMBL9301554

SCHEMBL9301554

C=CCCCCCCN(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.35
ABCC4 O15439 1/20 0.35
LMNA P02545 2/20 0.35
TRPA1 O75762 2/20 0.33
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
HPGD P15428 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
SCHEMBL7172974 0.91 TSHR (0.42) TSHRALDH1A1MEN1KMT2A
SCHEMBL4582548 0.80 MEN1 (0.43) TSHRALDH1A1MEN1KMT2A
SCHEMBL23945291 0.80 TSHR (0.44) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL19850554 0.80 TSHR (0.44) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL21938814 0.80 TSHR (0.44) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL28057060 0.80 MEN1 (0.36) MEN1KMT2A
SCHEMBL21939213 0.77 TSHR (0.41) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL7677772 0.74 TSHR (0.42) TSHRALDH1A1MEN1KMT2A
SCHEMBL22043185 0.74 EPHX2 (0.40) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL20968115 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373061-A Polyolefins having active groups on its backbone ARISTECH CHEMICAL CORPORATION (US) 1994-12-13 US disclosed
US-5367090-A Unsaturated silane monomers ARISTECH CHEMICAL CORPORATION (US) 1994-11-22 US disclosed
US-5329037-A Olefin monomers containing a protective alkyl silane group ARISTECH CHEMICAL CORPORATION (US) 1994-07-12 US disclosed
US-5296626-A Monomers for polymers containing silanol groups with unsaturated groups ARISTECH CHEMICAL CORPORATION (US) 1994-03-22 US disclosed
US-5296562-A Ziegler-Natta catalytic addition polymerization of olefin and unsaturated silanol derivatives ARISTECH CHEMICAL CORPORATION (US) 1994-03-22 US disclosed
US-5294679-A Polymerization of an alpha olefin and an unsaturated silyl compound using a coordination catalyst of titanium chloride on a magnesium chloride support followed by hydroysis or alcoholyzing ARISTECH CHEMICAL CORPORATION (US) 1994-03-15 US disclosed
EP-0316369-B1 INCORPORATION OF FUNCTIONAL GROUPS IN POLYMERS Aristech Chemical Corporation (US) 1993-03-24 EP disclosed
EP-0363990-A2 Incorporation of functional groups in polymers Aristech Chemical Corporation (US) 1990-04-18 EP disclosed
EP-0316369-A1 INCORPORATION OF FUNCTIONAL GROUPS IN POLYMERS. ARISTECH CHEMICAL CORP (US) 1989-05-24 EP disclosed
WO-1988008856-A1 INCORPORATION OF FUNCTIONAL GROUPS IN POLYMERS ARISTECH CHEMICAL CORPORATION (US) 1988-11-17 WO disclosed