SCHEMBL7956563

SCHEMBL7956563

CC(O)COC(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SCN1A P35498 3/20 0.53
SCN2A Q99250 3/20 0.53
SCN3A Q9NY46 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 3/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
TSHR P16473 1/20 0.48
ADRA2B P18089 1/20 0.48

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
SCHEMBL7956561 1.00 LMNA (0.53) LMNASCN1ASCN2ASCN3AMEN1
SCHEMBL7960344 1.00 LMNA (0.53) LMNASCN1ASCN2ASCN3AMEN1
Methacrylic Acid SCHEMBL28576208 0.87 MEN1 (0.44) LMNASCN1ASCN2ASCN3AMEN1
Acrylic Acid SCHEMBL28572203 0.87 MEN1 (0.44) LMNASCN1ASCN2ASCN3AMEN1
SCHEMBL10853706 0.83 LMNA (0.53) LMNASCN1ASCN2ASCN3AALDH1A1
SCHEMBL9312000 0.81 PPARG (0.43) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4483184 0.80 LMNA (0.50) LMNASCN1ASCN2ASCN3AALDH1A1
SCHEMBL16103787 0.80 LMNA (0.50) LMNASCN1ASCN2ASCN3AMEN1
SCHEMBL15214945 0.80 LMNA (0.50) LMNASCN1ASCN2ASCN3AMEN1
SCHEMBL4594703 0.80 LMNA (0.50) LMNAMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed