SCHEMBL7186344

SCHEMBL7186344

C=C(C)Oc1ccc(C(=O)C=Cc2cc(OCCCC)ccc2OCCCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.55
DPP4 P27487 3/20 0.55
ABCG2 Q9UNQ0 3/20 0.52
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
BCHE P06276 6/20 0.48
ACHE P22303 4/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7191522 0.95 DPP4 (0.55) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7185701 0.92 CYP1A1 (0.56) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7184858 0.90 ABCG2 (0.53) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7184857 0.90 ABCG2 (0.53) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7190274 0.88 PTPN1 (0.50) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7806482 0.88 CYP1A1 (0.61) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7181537 0.86 PTPN1 (0.48) PTPN1DPP4ABCG2BCHE
SCHEMBL7191866 0.86 ABCG2 (0.67) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7179953 0.86 DPP4 (0.62) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7186196 0.85 PTPN1 (0.52) PTPN1DPP4ABCG2CYP1A1CYP1B1

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