SCHEMBL48123

SCHEMBL48123

CC(Cl)c1cc(Cl)ccc1OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
FFAR1 O14842 1/20 0.39
PTGDR Q13258 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL4271125 0.80 TDP1 (0.62) TSHRSMN1; SMN2TDP1PTGDR2PTGDR
SCHEMBL28395602 0.80 AKR1C3 (0.41) TSHRSMN1; SMN2TDP1HTTALDH1A1
SCHEMBL10524187 0.77 KDM4E (0.42) TSHRTDP1HTTALDH1A1KMT2A
SCHEMBL25762 0.77 LMNA (0.43) SMN1; SMN2TDP1ALDH1A1KMT2ACYP1A2
SCHEMBL25763 0.77 LMNA (0.43) SMN1; SMN2TDP1ALDH1A1KMT2ACYP1A2
SCHEMBL6411625 0.76 HTR2C (0.45) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL6273604 0.75 TSHR (0.60) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL3129615 0.74 TDP1 (0.59) TSHRSMN1; SMN2TDP1FFAR1ALDH1A1
Hydrochloric Acid SCHEMBL11854026 0.74 TSHR (0.58) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL11715946 0.73 MEN1 (0.43) TSHRHTR2AHTR2CHTR2BSMN1; SMN2

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
EP-2149586-B1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8128782-B2 Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-03-06 US disclosed
US-20100160494-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2010-06-24 US disclosed
EP-2149586-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-03 EP disclosed