SCHEMBL7187552

SCHEMBL7187552

CCOc1ccc(C(=O)/C=C/c2cc(OC(C)C)ccc2OC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
ABCG2 Q9UNQ0 2/20 0.55
MAOB P27338 9/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTPN1 P18031 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 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
SCHEMBL7187555 1.00 DPP4 (0.57) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL9113888 0.90 CYP1A1 (0.59) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL9113886 0.90 CYP1A1 (0.59) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL9114051 0.90 DPP4 (0.54) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL7183738 0.87 PTPN1 (0.59) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL9114328 0.87 DPP4 (0.54) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL9114331 0.87 DPP4 (0.54) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL7192107 0.86 ABCG2 (0.71) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL7192111 0.86 ABCG2 (0.71) DPP4MAPTKDM4ELMNAABCG2
SCHEMBL7192513 0.86 DPP4 (0.63) DPP4MAPTKDM4ELMNAABCG2

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