SCHEMBL47791

SCHEMBL47791

CCc1c(OC(=O)O)ccc([N+](=O)[O-])c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 3/20 0.40
FBP1 P09467 2/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL47790 1.00 TSHR (0.42) TSHRTDP1FBP1ALDH1A1KDM4E
SCHEMBL618822 0.81 TXNRD1 (0.39) TSHRTDP1FBP1ALDH1A1KDM4E
SCHEMBL8699266 0.79 FBP1 (0.37) TSHRFBP1ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL28016724 0.78 GAA (0.38) FBP1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL7968000 0.78 FBP1 (0.36) TDP1FBP1ALDH1A1KDM4EGAA
SCHEMBL27364415 0.77 CTSV (0.46) TDP1POLBMEN1KMT2AMAPT
SCHEMBL28092386 0.77 TDP1 (0.40) TSHRTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27311411 0.75 ALDH1A1 (0.41) FBP1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL11741640 0.74 TSHR (0.50) TSHRTDP1FBP1ALDH1A1KDM4E
SCHEMBL6094640 0.73 SRD5A1 (0.53) TSHRTDP1ALDH1A1KDM4EGAA

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