SCHEMBL7180110

SCHEMBL7180110

CCCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OC(C)C)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.43
PTPN1 P18031 6/20 0.43
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
CAPN1 P07384 1/20 0.38
DPP4 P27487 4/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDE4A P27815 1/20 0.37

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
SCHEMBL7180107 1.00 ABCG2 (0.43) ABCG2PTPN1MAPTMEN1LMNA
SCHEMBL7186943 0.92 PTPN1 (0.50) PTPN1DPP4
SCHEMBL7186938 0.92 PTPN1 (0.50) PTPN1DPP4
SCHEMBL9206699 0.90 PTPN1 (0.49) PTPN1DPP4
SCHEMBL9206690 0.90 PTPN1 (0.49) PTPN1DPP4
SCHEMBL7184692 0.88 CAPN1 (0.51) ABCG2PTPN1CAPN1DPP4CTSL
SCHEMBL7184694 0.88 CAPN1 (0.51) ABCG2PTPN1CAPN1DPP4CTSL
SCHEMBL7189977 0.87 PTPN1 (0.47) ABCG2PTPN1CAPN1DPP4CTSL
SCHEMBL7189980 0.87 PTPN1 (0.47) ABCG2PTPN1CAPN1DPP4CTSL
SCHEMBL7190836 0.86 PTPN1 (0.55) 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