SCHEMBL7185693

SCHEMBL7185693

C=CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.65
PTPN1 P18031 4/20 0.64
MAOB P27338 3/20 0.63
NFE2L2 Q16236 3/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
KEAP1 Q14145 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
NTSR1 P30989 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL7186131 1.00 ALOX5 (0.65) ALOX5PTPN1MAOBNFE2L2ABCG2
SCHEMBL30307288 0.87 ALOX5 (0.70) ALOX5PTPN1MAOBNFE2L2ABCG2
SCHEMBL7184568 0.86 ABCG2 (0.70) PTPN1MAOBNFE2L2ABCG2KEAP1
SCHEMBL7184561 0.86 ABCG2 (0.70) PTPN1MAOBNFE2L2ABCG2KEAP1
SCHEMBL31676388 0.85 ALOX5 (0.78) ALOX5MAOBNFE2L2ABCG2NPC1
SCHEMBL9115187 0.85 PTPN1 (0.60) ALOX5PTPN1MAOBNFE2L2ABCG2
SCHEMBL9115195 0.85 PTPN1 (0.60) ALOX5PTPN1MAOBNFE2L2ABCG2
SCHEMBL9201464 0.84 PTPN1 (0.62) PTPN1ABCG2ALDH1A1LMNA
SCHEMBL7184798 0.81 TNFRSF1A (0.74) PTPN1MAOBABCG2NPC1RAB9A
SCHEMBL7177833 0.81 TNFRSF1A (0.74) PTPN1MAOBABCG2NPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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