SCHEMBL7185947

SCHEMBL7185947

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

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.74
PTPN1 P18031 6/20 0.74
CTSL P07711 3/20 0.71
CTSB P07858 3/20 0.71
CAPN1 P07384 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ABCG2 Q9UNQ0 2/20 0.65
IDH1 O75874 1/20 0.65
ABCB1 P08183 1/20 0.65
UGT1A1 P22309 1/20 0.65
ABCC1 P33527 1/20 0.65
PRMT6 Q96LA8 1/20 0.65
SNCA P37840 1/20 0.63
MAOB P27338 1/20 0.63

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
SCHEMBL7185952 1.00 DPP4 (0.74) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7184370 0.90 DPP4 (0.74) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7184368 0.90 DPP4 (0.74) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7184180 0.90 PTPN1 (0.76) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7184183 0.90 PTPN1 (0.76) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7180031 0.87 DPP4 (0.61) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7180037 0.87 DPP4 (0.61) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7185017 0.86 DPP4 (0.56) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7192416 0.86 PTPN1 (0.56) DPP4PTPN1CTSLCTSBCAPN1
SCHEMBL7192414 0.86 PTPN1 (0.56) DPP4PTPN1CTSLCTSBCAPN1

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