SCHEMBL1253993

SCHEMBL1253993

C=CC(=O)OCCCN(C)C.C=CC(=O)OCCN(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.59
ALDH1A1 P00352 5/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.58
TP53 P04637 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRM3 P20309 1/20 0.47
CHRNA4 P43681 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
DNM1 Q05193 1/20 0.42
GAA P10253 1/20 0.41
THRB P10828 2/20 0.41

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
SCHEMBL21190 0.96 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Iodide SCHEMBL1254828 0.94 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Fluoride SCHEMBL1254121 0.94 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Bromide SCHEMBL1252833 0.94 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL1254882 0.94 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Ammonia Solution, Strong SCHEMBL28757035 0.94 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL28202063 0.93 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
Chloromethane SCHEMBL1628813 0.93 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15115 0.92 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
Acetic Acid SCHEMBL10361603 0.91 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53

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-8461237-B2 Gel composition, method of preparing the same, and impact resistant absorbing material using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-06-11 US disclosed
US-20110097585-A1 GEL COMPOSITION, METHOD OF PREPARING THE SAME, AND IMPACT RESISTANT ABSORBING MATERIAL USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2011-04-28 US disclosed
EP-2285900-A2 GEL COMPOSITION, METHOD FOR PREPARING THE SAME, AND IMPACT RESISTANT ABSORBING MATERIAL USING THE SAME 3M Innovative Properties Company (US) 2011-02-23 EP disclosed
WO-2009134694-A2 GEL COMPOSITION, METHOD FOR PREPARING THE SAME, AND IMPACT RESISTANT ABSORBING MATERIAL USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-11-05 WO disclosed
US-5260480-A Quaternization process NORSOLOR (FR) 1993-11-09 US disclosed