SCHEMBL7186734

SCHEMBL7186734

COc1c(C(C)(C)C)cc(C(C)(C)C)c(OC(=O)C(C)(C)C)c1/C=C/C(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.54
PTPN1 P18031 7/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
ELANE P08246 3/20 0.46
KRAS P01116 1/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
F3 P13726 2/20 0.43
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
P4HB P07237 1/20 0.42
CALM1 P0DP23 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7186739 1.00 TNFRSF1A (0.54) TNFRSF1APTPN1ABCG2ELANEKRAS
SCHEMBL7187830 0.89 PTPN1 (0.43) TNFRSF1APTPN1ABCG2ELANEKRAS
SCHEMBL7187829 0.89 PTPN1 (0.43) TNFRSF1APTPN1ABCG2ELANEKRAS
SCHEMBL7177343 0.88 TNFRSF1A (0.43) TNFRSF1APTPN1ABCG2ELANE
SCHEMBL7177620 0.88 MAOB (0.46) TNFRSF1AABCG2ELANEMAPTLMNA
SCHEMBL7177615 0.88 MAOB (0.46) TNFRSF1AABCG2ELANEMAPTLMNA
SCHEMBL7177337 0.88 TNFRSF1A (0.43) TNFRSF1APTPN1ABCG2ELANE
SCHEMBL7184167 0.87 TNFRSF1A (0.53) TNFRSF1APTPN1ABCG2ELANEKRAS
SCHEMBL7185935 0.86 ABCG2 (0.49) TNFRSF1APTPN1ABCG2ELANEKRAS
SCHEMBL7185939 0.86 ABCG2 (0.49) TNFRSF1APTPN1ABCG2ELANEKRAS

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