SCHEMBL23735650

SCHEMBL23735650

CCOc1ccc(CC2=C(Cl)C=CCC2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
NQO1 P15559 1/20 0.39
LMNA P02545 2/20 0.38
SLC5A2 P31639 9/20 0.37
SLC5A1 P13866 6/20 0.37
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
DHFR P00374 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2488793 0.69 NQO1 (0.74) SMN1; SMN2KDM4EHPGDNQO1LMNA
SCHEMBL15201648 0.64 NQO1 (0.64) SMN1; SMN2KDM4EHPGDNQO1LMNA
SCHEMBL13400766 0.63 NQO1 (0.61) SMN1; SMN2KDM4EHPGDNQO1LMNA
SCHEMBL10062561 0.63 LTA4H (0.63) SMN1; SMN2HPGDNQO1LMNAALDH1A1
SCHEMBL11671912 0.63 LTA4H (0.63) SMN1; SMN2NQO1LMNAALDH1A1MAPT
1,4-Diethoxybenzene SCHEMBL124015 0.62 NQO1 (1.00) SMN1; SMN2KDM4ENQO1ALDH1A1MAPT
1,4-Diethoxybenzene SCHEMBL28186701 0.62 NQO1 (1.00) SMN1; SMN2KDM4ENQO1ALDH1A1MAPT
SCHEMBL24135044 0.62 NQO1 (0.48) SMN1; SMN2KDM4ENQO1LMNAGRM2
SCHEMBL3622807 0.62 MEN1 (0.66) SMN1; SMN2KDM4EHPGDNQO1LMNA
SCHEMBL1390870 0.62 NQO1 (0.67) SMN1; SMN2KDM4EHPGDNQO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3862003-A1 AN SGLT-2 INHIBITOR FOR USE IN THE TREATMENT OF A METABOLIC DISORDER IN FELINE ANIMALS Boehringer Ingelheim Vetmedica GmbH (DE) 2021-08-11 EP disclosed