SCHEMBL7179752

SCHEMBL7179752

COc1cc(C(=O)N(C)C)c(C)cc1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.60
SNCA P37840 2/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CAPN1 P07384 1/20 0.52
TNFRSF1A P19438 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DPP4 P27487 7/20 0.51
PTPN1 P18031 3/20 0.50
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KRAS P01116 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
SCHEMBL7179754 1.00 ABCG2 (0.60) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7178662 0.91 ABCG2 (0.66) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7178660 0.91 ABCG2 (0.66) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7187255 0.87 ABCG2 (0.56) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7180074 0.87 ABCG2 (0.56) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7802558 0.87 ABCG2 (0.56) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7187253 0.87 ABCG2 (0.56) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7192248 0.86 ABCG2 (0.55) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7192254 0.86 ABCG2 (0.55) ABCG2SNCACTSLCTSBCAPN1
SCHEMBL7186253 0.84 ABCG2 (0.53) ABCG2SNCACTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed