SCHEMBL7190809

SCHEMBL7190809

CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OC(C)C)c(OC)c1OC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.44
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
TNFRSF1A P19438 1/20 0.39
DPP4 P27487 2/20 0.39
IDH1 O75874 1/20 0.39
ABCB1 P08183 1/20 0.39
UGT1A1 P22309 1/20 0.39
ABCC1 P33527 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL7187221 0.94 PTPN1 (0.42) PTPN1CYP1A1CYP1B1ABCG2KDM4E
SCHEMBL7191858 0.92 PTPN1 (0.48) PTPN1CYP1A1CYP1B1ABCG2KDM4E
SCHEMBL7184639 0.92 PTPN1 (0.53) PTPN1
SCHEMBL7186188 0.91 PTPN1 (0.42) PTPN1CYP1A1CYP1B1ABCG2DPP4
SCHEMBL7188176 0.89 PTPN1 (0.41) PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7188167 0.89 PTPN1 (0.41) PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7182695 0.89 PTPN1 (0.43) PTPN1CYP1A1CYP1B1ABCG2KDM4E
SCHEMBL7179053 0.88 PTPN1 (0.48) PTPN1CYP1A1CYP1B1ABCG2KDM4E
SCHEMBL7187085 0.88 PTPN1 (0.43) PTPN1CYP1A1CYP1B1ABCG2GABRA3
SCHEMBL7189148 0.88 TNFRSF1A (0.47) PTPN1CYP1A1CYP1B1ABCG2LMNA

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