SCHEMBL7186606

SCHEMBL7186606

C=CCc1ccc(OCC)c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.51
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DPP4 P27487 2/20 0.42
MAOB P27338 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
SCHEMBL7185914 0.93 PTPN1 (0.46) PTPN1MAPTDPP4
SCHEMBL9197571 0.92 PTPN1 (0.47) PTPN1MAPTDPP4
SCHEMBL9276155 0.91 PTPN1 (0.44) PTPN1LMNAMAPTATMSMN1; SMN2
SCHEMBL7186631 0.89 PTPN1 (0.59) PTPN1LMNAMAPTATMSMN1; SMN2
SCHEMBL7184382 0.89 LMNA (0.51) PTPN1LMNAMAPTATMSMN1; SMN2
SCHEMBL7184160 0.88 LMNA (0.47) PTPN1LMNAMAPTATMSMN1; SMN2
SCHEMBL7184649 0.87 MAPT (0.49) PTPN1LMNAMAPTATMSMN1; SMN2
SCHEMBL7188905 0.86 PTPN1 (0.51) PTPN1
SCHEMBL9206940 0.86 PTPN1 (0.46) PTPN1LMNAMAPTATMSMN1; SMN2
SCHEMBL7189620 0.85 PTPN1 (0.58) PTPN1

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