SCHEMBL4773931

SCHEMBL4773931

COc1ccc(C=CC(=O)c2ccc(OC)cc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.72
MAPT P10636 5/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
MAPK1 P28482 3/20 0.72
LMNA P02545 2/20 0.72
CYP3A4 P08684 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
APP P05067 1/20 0.72
CYP2C19 P33261 1/20 0.72
TNFRSF1A P19438 1/20 0.72
MAOB P27338 3/20 0.69
ACHE P22303 1/20 0.64
BACE1 P56817 1/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL26616170 0.92 ABCG2 (0.70) ABCG2MAPTMEN1KMT2AMAPK1
SCHEMBL9420986 0.85 MAOB (0.72) ABCG2MAPTMEN1KMT2AMAPK1
SCHEMBL14692575 0.85 MAOB (0.72) ABCG2MAPTMEN1KMT2AMAPK1
Metochalcone SCHEMBL4957703 0.84 ABCG2 (1.00) ABCG2MAPTMEN1KMT2AMAPK1
SCHEMBL7198195 0.84 ABCG2 (0.74) ABCG2MAPTMEN1KMT2AMAPK1
SCHEMBL25189208 0.84 ABCG2 (1.00) ABCG2MAPTMEN1KMT2AMAPK1
SCHEMBL30382670 0.84 ABCG2 (1.00) ABCG2MAPTMEN1KMT2AMAPK1
SCHEMBL634187 0.84 ABCG2 (1.00) ABCG2MAPTMEN1KMT2AMAPK1
SCHEMBL634186 0.84 ABCG2 (1.00) ABCG2MAPTMEN1KMT2AMAPK1
Metochalcone SCHEMBL309111 0.84 ABCG2 (1.00) ABCG2MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889617-A1 Triphenyl modified 5-membered heterocycles and their use as anticancer and antiflammatory agents Freie Universität Berlin (DE) 2008-02-20 EP disclosed
WO-2008006626-A1 TRIPHENYL MODIFIED 5-MEMBERED HETEROCYCLES AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS FREIE UNIVERSITÄT BERLIN (DE) 2008-01-17 WO disclosed