SCHEMBL7192551

SCHEMBL7192551

CCCOc1c(/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 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.46
DPP4 P27487 5/20 0.46
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
PTPN1 P18031 4/20 0.41
ELANE P08246 1/20 0.40
MAOB P27338 2/20 0.38

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
SCHEMBL7192554 1.00 ABCG2 (0.46) ABCG2DPP4CYP1A1CYP1B1PTPN1
SCHEMBL7186573 0.92 CYP1A1 (0.45) ABCG2DPP4CYP1A1CYP1B1PTPN1
SCHEMBL7186576 0.92 CYP1A1 (0.45) ABCG2DPP4CYP1A1CYP1B1PTPN1
SCHEMBL7185876 0.90 DPP4 (0.48) ABCG2DPP4CYP1A1CYP1B1PTPN1
SCHEMBL7185429 0.88 ABCG2 (0.49) ABCG2DPP4CYP1A1CYP1B1PTPN1
SCHEMBL7185433 0.88 ABCG2 (0.49) ABCG2DPP4CYP1A1CYP1B1PTPN1
SCHEMBL7186251 0.86 PTPN1 (0.47) ABCG2DPP4PTPN1ELANE
SCHEMBL7186250 0.86 PTPN1 (0.47) ABCG2DPP4PTPN1ELANE
SCHEMBL7180080 0.85 DPP4 (0.46) ABCG2DPP4CYP1A1CYP1B1PTPN1
SCHEMBL7180090 0.85 DPP4 (0.46) ABCG2DPP4CYP1A1CYP1B1PTPN1

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