SCHEMBL7184600

SCHEMBL7184600

CCCOc1ccc(C)c(OCCC)c1C=CC(=O)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.57
MAOB P27338 3/20 0.47
CAPN1 P07384 2/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
DPP4 P27487 2/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
F3 P13726 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL7186152 0.94 ABCG2 (0.59) ABCG2MAOBCAPN1POLBMAPT
SCHEMBL7187979 0.89 CA1 (0.45) ABCG2POLBMAPTRAB9ALMNA
SCHEMBL7192459 0.88 ABCG2 (0.55) ABCG2MAOBCAPN1POLBMAPT
SCHEMBL7192456 0.88 ABCG2 (0.55) ABCG2MAOBCAPN1POLBMAPT
SCHEMBL7184172 0.87 ABCG2 (0.43) ABCG2MAOBPOLBMAPTLMNA
SCHEMBL7179925 0.87 ABCG2 (0.54) ABCG2MAOBCAPN1POLBMAPT
SCHEMBL7184017 0.87 ABCG2 (0.43) ABCG2MAOBMAPTRAB9ALMNA
SCHEMBL7796250 0.86 ABCG2 (0.53) ABCG2MAOBCAPN1POLBMAPT
SCHEMBL7184643 0.86 ABCG2 (0.47) ABCG2MAOBMAPTLMNADPP4
SCHEMBL7180114 0.85 ABCG2 (0.62) ABCG2MAOBCAPN1MAPTMAOA

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