SCHEMBL48273

SCHEMBL48273

CCc1c(C)cc(C)cc1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.34
NLRP3 Q96P20 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL48272 0.87 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2HTTMEN1
SCHEMBL10752454 0.86 ELANE (0.42) ALDH1A1KDM4ESMN1; SMN2HTTTSHR
SCHEMBL1841424 0.84 MEN1 (0.32) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL5677861 0.77 LDHA (0.33) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL5677807 0.76 CYP3A4 (0.34) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5588261 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2KMT2ATSHR
SCHEMBL48020 0.75 SLC22A12 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5680643 0.75 KDM4E (0.36) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL10755095 0.75 ACHE (0.48) KDM4ESMN1; SMN2MAPT
SCHEMBL1835914 0.74 TAAR1 (0.33) ALDH1A1KDM4EHTTPOLBCYP3A4

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