SCHEMBL7186250

SCHEMBL7186250

COc1c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(C)c(OC(=O)C(C)(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.47
ABCG2 Q9UNQ0 3/20 0.45
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
TNFRSF1A P19438 1/20 0.44
ELANE P08246 1/20 0.44
KRAS P01116 1/20 0.44
IDH1 O75874 1/20 0.43
ABCB1 P08183 1/20 0.43
UGT1A1 P22309 1/20 0.43
DPP4 P27487 1/20 0.43
ABCC1 P33527 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7186251 1.00 PTPN1 (0.47) PTPN1ABCG2GABRA3GABRA2GABRB2
SCHEMBL7184153 0.92 PTPN1 (0.48) PTPN1ABCG2GABRA3GABRA2GABRB2
SCHEMBL7186576 0.88 CYP1A1 (0.45) PTPN1ABCG2ELANEDPP4LMNA
SCHEMBL7191079 0.88 ELANE (0.41) PTPN1ABCG2GABRA3GABRA2GABRB2
SCHEMBL7186573 0.88 CYP1A1 (0.45) PTPN1ABCG2ELANEDPP4LMNA
SCHEMBL7191082 0.88 ELANE (0.41) PTPN1ABCG2GABRA3GABRA2GABRB2
SCHEMBL7192551 0.86 ABCG2 (0.46) PTPN1ABCG2ELANEDPP4
SCHEMBL7187085 0.86 PTPN1 (0.43) PTPN1ABCG2GABRA3GABRA2GABRB2
SCHEMBL7192554 0.86 ABCG2 (0.46) PTPN1ABCG2ELANEDPP4
SCHEMBL7184708 0.86 CYP1A1 (0.48) PTPN1ABCG2DPP4LMNAMAPT

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