SCHEMBL7594540

SCHEMBL7594540

CC(CCC(=O)O)(c1ccc(OCc2nccc(-c3ccccc3)n2)cc1)c1ccc(OCc2nccc(-c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.47
CYP3A4 P08684 1/20 0.47
ESR2 Q92731 1/20 0.47
DUSP10 Q9Y6W6 1/20 0.43
FFAR1 O14842 9/20 0.42
PPARD Q03181 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ACACA Q13085 1/20 0.38
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1B1 P15121 2/20 0.37
CHEK1 O14757 1/20 0.37
FYN P06241 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL7599591 0.85 ALDH1A1 (0.57) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL7599843 0.83 ALDH1A1 (0.48) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL7600501 0.80 PPARD (0.55) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL28205576 0.77 ALDH1A1 (0.60) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL7594842 0.77 ALDH1A1 (0.54) ALDH1A1ESR1CYP3A4ESR2CYSLTR2
SCHEMBL7607544 0.76 MAPT (0.60) ALDH1A1CYP3A4MEN1KMT2AKDM4E
SCHEMBL7596217 0.76 ALDH1A1 (0.52) ALDH1A1ESR1CYP3A4ESR2CYSLTR2
SCHEMBL6440668 0.76 CYSLTR1 (0.67) FFAR1CYSLTR2CYSLTR1AKR1B1
SCHEMBL30538032 0.76 CYSLTR1 (0.67) FFAR1CYSLTR2CYSLTR1AKR1B1
SCHEMBL7597336 0.76 ALDH1A1 (0.49) ALDH1A1ESR1CYP3A4ESR2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862557-B1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 2002-11-27 EP disclosed
US-5843968-A Symmetrical bis-heteroarylmethoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-12-01 US disclosed
US-5795900-A Symmetrical bis-heteroaryl-methoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-08-18 US disclosed