SCHEMBL7183818

SCHEMBL7183818

C=CCOc1ccc(C(=O)C=Cc2c(OC(C)C)ccc(CCC)c2OC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
MAOB P27338 7/20 0.37
MAOA P21397 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36

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
SCHEMBL7183813 1.00 PTPN1 (0.45) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7179219 0.90 PTPN1 (0.53) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7179222 0.90 PTPN1 (0.53) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7191733 0.87 PTPN1 (0.46) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7191684 0.87 PTPN1 (0.46) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7185856 0.85 ABCG2 (0.35) PTPN1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7185851 0.85 ABCG2 (0.35) PTPN1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7185167 0.85 PTPN1 (0.54) PTPN1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7803230 0.85 PTPN1 (0.47) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7185172 0.85 PTPN1 (0.54) PTPN1MAPTSMN1; SMN2KDM4ELMNA

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 9 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 claimed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP claimed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO claimed
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