SCHEMBL7184485

SCHEMBL7184485

CCOc1cc(O)c(CC)cc1/C=C/C(=O)c1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.63
DPP4 P27487 5/20 0.56
CAPN1 P07384 1/20 0.55
MAOB P27338 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
CHRNA7 P36544 1/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7184489 1.00 PTPN1 (0.63) PTPN1DPP4CAPN1MAOBABCG2
SCHEMBL7186282 0.92 PTPN1 (0.59) PTPN1DPP4CAPN1MAOBABCG2
SCHEMBL7186287 0.92 PTPN1 (0.59) PTPN1DPP4CAPN1MAOBABCG2
SCHEMBL7186254 0.90 PTPN1 (0.60) PTPN1DPP4CAPN1ABCG2CTSL
SCHEMBL7186258 0.90 PTPN1 (0.60) PTPN1DPP4CAPN1ABCG2CTSL
SCHEMBL7177758 0.90 PTPN1 (0.58) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7177757 0.90 PTPN1 (0.58) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7191039 0.90 PTPN1 (0.80) PTPN1
SCHEMBL7191034 0.90 PTPN1 (0.80) PTPN1
SCHEMBL7192034 0.89 PTPN1 (0.78) PTPN1DPP4CAPN1MAOBABCG2

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