SCHEMBL7901291

SCHEMBL7901291

C=CC=C(C#N)C(=O)OCCCCOC(=O)C(C#N)=CC=C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.47
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
GAA P10253 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
USP2 O75604 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39

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
SCHEMBL7909313 0.92 DNM1 (0.44) DNM1TSHRALDH1A1CYP3A4MEN1
SCHEMBL10359421 0.92 DNM1 (0.44) DNM1TSHRALDH1A1CYP3A4MEN1
SCHEMBL9240543 0.91 TSHR (0.50) DNM1TSHRCYP3A4MEN1MAPT
SCHEMBL9240541 0.91 TSHR (0.50) DNM1TSHRCYP3A4MEN1MAPT
SCHEMBL11123619 0.90 TSHR (0.47) DNM1TSHRALDH1A1CYP3A4MEN1
SCHEMBL9311829 0.87 TP53 (0.42) DNM1TSHRALDH1A1CYP3A4MEN1
SCHEMBL10359458 0.87 TP53 (0.42) DNM1TSHRALDH1A1CYP3A4MEN1
SCHEMBL5845509 0.87 TSHR (0.46) DNM1TSHRALDH1A1CYP3A4MEN1
SCHEMBL11121824 0.86 CYP2C9 (0.44) DNM1TSHRALDH1A1CYP3A4MEN1
SCHEMBL5846665 0.84 TSHR (0.48) DNM1TSHRALDH1A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201088-B1 CONTAINING 2-CYANOPENTADIENOIC ACID ALKYL ESTER AND ALKYLENE-BIS-(2-CYANOPENTADIENOATE); BONDING ELECTRONICS; HEAT RESISTANCE, STORAGE STABILITY AND ACCEPTABLE CURE TIMES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-13 US claimed
US-6201088-B1 CONTAINING 2-CYANOPENTADIENOIC ACID ALKYL ESTER AND ALKYLENE-BIS-(2-CYANOPENTADIENOATE); BONDING ELECTRONICS; HEAT RESISTANCE, STORAGE STABILITY AND ACCEPTABLE CURE TIMES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-13 US disclosed
EP-0929617-A1 CYANOACRYLATE ADHESIVE Henkel Kommanditgesellschaft auf Aktien (DE) 1999-07-21 EP disclosed
WO-1998014526-A1 CYANOACRYLATE ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-04-09 WO disclosed