SCHEMBL7183475

SCHEMBL7183475

C=C(C)Oc1ccc(C(=O)C=Cc2cc(C(C)(C)C)c(OC(C)(C)C)cc2OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.55
ABCG2 Q9UNQ0 3/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 3/20 0.43
IDH1 O75874 1/20 0.43
ABCB1 P08183 1/20 0.43
UGT1A1 P22309 1/20 0.43
ABCC1 P33527 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TNFRSF1A P19438 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41

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
SCHEMBL7183469 1.00 PTPN1 (0.55) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7192603 0.89 PTPN1 (0.52) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7192605 0.89 PTPN1 (0.52) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7177707 0.88 PTPN1 (0.70) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7187855 0.88 PTPN1 (0.51) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7187850 0.88 PTPN1 (0.51) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7177703 0.88 PTPN1 (0.70) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL9113945 0.86 PTPN1 (0.64) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7187120 0.85 TNFRSF1A (0.52) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7185439 0.85 ABCG2 (0.53) PTPN1ABCG2LMNAMAPTKDM4E

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