SCHEMBL7189148

SCHEMBL7189148

COc1c(OC(C)C)c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(C(C)(C)C)c1OC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.47
PTPN1 P18031 10/20 0.46
ABCG2 Q9UNQ0 2/20 0.42
IDH1 O75874 1/20 0.42
ABCB1 P08183 1/20 0.42
UGT1A1 P22309 1/20 0.42
DPP4 P27487 1/20 0.42
ABCC1 P33527 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL7184167 0.92 TNFRSF1A (0.53) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7181418 0.91 PTPN1 (0.56) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7182695 0.91 PTPN1 (0.43) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7187085 0.90 PTPN1 (0.43) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7190078 0.89 PTPN1 (0.43) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL9275539 0.89 TNFRSF1A (0.39) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7179823 0.89 TNFRSF1A (0.43) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7179830 0.89 TNFRSF1A (0.43) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7190809 0.88 PTPN1 (0.44) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7192140 0.86 CYP1A1 (0.48) TNFRSF1APTPN1ABCG2IDH1ABCB1

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 3 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