SCHEMBL7189495

SCHEMBL7189495

COCOc1ccc(C(=O)/C=C/c2cc(C)c(OCOC)cc2OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.60
DPP4 P27487 8/20 0.55
TNFRSF1A P19438 1/20 0.55
PTPN1 P18031 6/20 0.53
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7189503 1.00 ABCG2 (0.60) ABCG2DPP4TNFRSF1APTPN1LMNA
SCHEMBL7183664 0.87 ABCG2 (0.59) ABCG2DPP4TNFRSF1APTPN1
SCHEMBL7183673 0.87 ABCG2 (0.59) ABCG2DPP4TNFRSF1APTPN1
SCHEMBL7184148 0.87 ABCG2 (0.53) ABCG2DPP4TNFRSF1APTPN1
SCHEMBL7184141 0.87 ABCG2 (0.53) ABCG2DPP4TNFRSF1APTPN1
SCHEMBL9112464 0.86 DPP4 (0.70) ABCG2DPP4TNFRSF1APTPN1LMNA
SCHEMBL9112466 0.86 DPP4 (0.70) ABCG2DPP4TNFRSF1APTPN1LMNA
SCHEMBL7184729 0.85 PTPN1 (0.59) ABCG2DPP4TNFRSF1APTPN1
SCHEMBL7184724 0.85 PTPN1 (0.59) ABCG2DPP4TNFRSF1APTPN1
SCHEMBL7184612 0.84 PTPN1 (0.56) ABCG2DPP4TNFRSF1APTPN1

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
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