SCHEMBL7188822

SCHEMBL7188822

C=C(C)Oc1ccc(C(=O)C=Cc2cc(C)c(OCC)cc2OCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
PTPN1 P18031 5/20 0.48
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 1/20 0.46
MAOB P27338 5/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL7188820 1.00 DPP4 (0.48) DPP4PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL7190274 0.91 PTPN1 (0.50) DPP4PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7184704 0.91 DPP4 (0.50) DPP4PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL9113757 0.88 DPP4 (0.60) DPP4PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL7184857 0.86 ABCG2 (0.53) DPP4PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL7184778 0.86 CYP1A1 (0.60) DPP4PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL7184858 0.86 ABCG2 (0.53) DPP4PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL7184772 0.86 CYP1A1 (0.60) DPP4PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL9113247 0.86 MAOB (0.60) DPP4PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL9113243 0.86 MAOB (0.60) DPP4PTPN1LMNAMAPTSMN1; SMN2

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