SCHEMBL7184476

SCHEMBL7184476

CCCCOc1cccc(OCCCC)c1C=CC(=O)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.64
MAOB P27338 2/20 0.53
BCHE P06276 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48
P4HB P07237 2/20 0.47
DPP4 P27487 1/20 0.47
PTPN1 P18031 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 3/20 0.47
ATM Q13315 1/20 0.47
MDM4 O15151 1/20 0.47

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
SCHEMBL7180114 0.93 ABCG2 (0.62) ABCG2MAOBLMNASMN1; SMN2P4HB
SCHEMBL7184728 0.88 ABCG2 (0.56) ABCG2MAOBBCHELMNASMN1; SMN2
SCHEMBL7184176 0.88 ABCG2 (0.61) ABCG2MAOBLMNASMN1; SMN2P4HB
SCHEMBL7184186 0.88 ABCG2 (0.61) ABCG2MAOBLMNASMN1; SMN2P4HB
SCHEMBL7190647 0.86 ABCG2 (0.53) ABCG2MAOBBCHELMNASMN1; SMN2
SCHEMBL7192480 0.86 ABCG2 (0.53) ABCG2BCHELMNASMN1; SMN2ACHE
SCHEMBL7191650 0.86 ABCG2 (0.51) ABCG2MAOBBCHELMNASMN1; SMN2
SCHEMBL7186152 0.85 ABCG2 (0.59) ABCG2MAOBBCHELMNASMN1; SMN2
SCHEMBL7186727 0.84 ABCG2 (0.52) ABCG2MAOBBCHEDPP4PTPN1
SCHEMBL7185283 0.84 ABCG2 (0.51) ABCG2MAOBBCHELMNASMN1; SMN2

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