SCHEMBL7790738

SCHEMBL7790738

C=CC(=O)OCCN(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
ALDH1A1 P00352 7/20 0.42
TSHR P16473 6/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL14123767 0.91 THRB (0.54) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL28459735 0.88 THRB (0.51) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL7644509 0.85 THRB (0.58) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL14123765 0.84 THRB (0.48) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL9174872 0.84 THRB (0.57) THRBALDH1A1TSHRTP53HIF1A
Hydrochloric Acid SCHEMBL30094529 0.84 THRB (0.57) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL14123725 0.83 THRB (0.47) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL14123772 0.81 THRB (0.45) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL14123775 0.80 ALDH1A1 (0.54) THRBALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL600753 0.79 THRB (0.51) THRBALDH1A1TSHRTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849258-B1 Process for the preparation of ethylenically unsaturated isocyanates NOVARTIS AG (CH) 2001-10-31 EP disclosed
EP-0730615-B1 LOW-ODOUR ADHESIVE COMPOSITION COMPRISING URETHANE GROUP CONTAINING (METH)ACRYLATE HENKEL KGAA (DE) 2000-09-06 EP disclosed
US-5990345-A Process for preparation of ethylenically unsaturated isocyanates NOVARTIS AG (CH) 1999-11-23 US disclosed
EP-0849258-A1 Process for the preparation of ethylenically unsaturated isocyanates Novartis AG (CH) 1998-06-24 EP disclosed
US-5700891-A CONTAINS ACTIVATOR SYSTEM FOR FREE-RADICAL POLYMERIZATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-12-23 US disclosed
EP-0730615-A1 LOW-ODOUR ADHESIVE COMPOSITION COMPRISING URETHANE GROUP CONTAINING (METH)ACRYLATE Henkel Kommanditgesellschaft auf Aktien (DE) 1996-09-11 EP disclosed
WO-1995014725-A1 LOW-ODOUR ADHESIVE COMPOSITION COMPRISING URETHANE GROUP CONTAINING (METH)ACRYLATE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-06-01 WO disclosed