SCHEMBL7186206

SCHEMBL7186206

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.46
ABCG2 Q9UNQ0 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP4 P27487 3/20 0.42

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
SCHEMBL7186239 0.94 PTPN1 (0.46) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7187652 0.93 DPP4 (0.47) PTPN1ABCG2KDM4EALDH1A1LMNA
SCHEMBL7191858 0.93 PTPN1 (0.48) PTPN1ABCG2KDM4EALDH1A1LMNA
SCHEMBL7187221 0.93 PTPN1 (0.42) PTPN1ABCG2KDM4EALDH1A1LMNA
SCHEMBL7185444 0.92 PTPN1 (0.45) PTPN1ABCG2KDM4EALDH1A1LMNA
SCHEMBL7185442 0.92 PTPN1 (0.45) PTPN1ABCG2KDM4EALDH1A1LMNA
SCHEMBL9276302 0.89 PTPN1 (0.42) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL9273431 0.89 PTPN1 (0.42) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL9273741 0.88 DPP4 (0.43) PTPN1ABCG2KDM4EALDH1A1LMNA
SCHEMBL7184755 0.88 PTPN1 (0.58) PTPN1

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