SCHEMBL7180119

SCHEMBL7180119

CCCOc1cc(OCCC)c(C(C)(C)C)cc1C=CC(=O)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
PTPN1 P18031 8/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
KRAS P01116 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
IDH1 O75874 1/20 0.41
ABCB1 P08183 1/20 0.41
UGT1A1 P22309 1/20 0.41
ABCC1 P33527 1/20 0.41
PRMT6 Q96LA8 1/20 0.41

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
SCHEMBL7186077 0.94 PTPN1 (0.48) DPP4PTPN1CTSLCTSBCYP1A1
SCHEMBL7187599 0.91 PTPN1 (0.53) DPP4PTPN1CTSLCTSBCYP1A1
SCHEMBL7187602 0.91 PTPN1 (0.53) DPP4PTPN1CTSLCTSBCYP1A1
SCHEMBL7191595 0.91 PTPN1 (0.48) DPP4PTPN1CTSLCTSBCYP1A1
SCHEMBL7191597 0.91 PTPN1 (0.48) DPP4PTPN1CTSLCTSBCYP1A1
SCHEMBL7187926 0.90 PTPN1 (0.55) DPP4PTPN1CTSLCTSBCYP1A1
SCHEMBL9112988 0.90 DPP4 (0.58) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7177521 0.89 PTPN1 (0.59) DPP4PTPN1CTSLCTSBCYP1A1
SCHEMBL9115674 0.88 PTPN1 (0.59) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9114316 0.88 DPP4 (0.56) DPP4PTPN1CYP1A1CYP1B1ABCG2

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 4 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
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