SCHEMBL7185444

SCHEMBL7185444

CCCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OC)c(CCC)c1OC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.45
ABCG2 Q9UNQ0 1/20 0.41
DPP4 P27487 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7185442 1.00 PTPN1 (0.45) PTPN1ABCG2DPP4KDM4EALDH1A1
SCHEMBL7186206 0.92 PTPN1 (0.46) PTPN1ABCG2DPP4KDM4EALDH1A1
SCHEMBL7187924 0.91 PTPN1 (0.43) PTPN1ABCG2DPP4KDM4EALDH1A1
SCHEMBL7187929 0.91 PTPN1 (0.43) PTPN1ABCG2DPP4KDM4EALDH1A1
SCHEMBL7192583 0.90 DPP4 (0.43) PTPN1ABCG2DPP4
SCHEMBL7192590 0.90 DPP4 (0.43) PTPN1ABCG2DPP4
SCHEMBL7184184 0.90 PTPN1 (0.39) PTPN1DPP4
SCHEMBL7184188 0.90 PTPN1 (0.39) PTPN1DPP4
SCHEMBL7192276 0.89 PTPN1 (0.47) PTPN1ABCG2DPP4KDM4EALDH1A1
SCHEMBL7192278 0.89 PTPN1 (0.47) PTPN1ABCG2DPP4KDM4EALDH1A1

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