SCHEMBL7600501

SCHEMBL7600501

CC(CCC(=O)O)(c1ccc(OCc2nc(-c3ccccc3)cs2)cc1)c1ccc(OCc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.55
PPARA Q07869 2/20 0.55
ALOX5 P09917 3/20 0.49
L3MBTL1 Q9Y468 6/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ESR1 P03372 1/20 0.46
CYP3A4 P08684 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
FFAR1 O14842 1/20 0.42
MAPK1 P28482 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
SCHEMBL7598120 0.90 ALDH1A1 (0.45) PPARDPPARAALOX5L3MBTL1MAPT
SCHEMBL7599843 0.83 ALDH1A1 (0.48) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL7594540 0.80 ALDH1A1 (0.47) PPARDL3MBTL1MAPTALDH1A1ESR1
SCHEMBL7607544 0.80 MAPT (0.60) ALOX5L3MBTL1MAPTRAB9AALDH1A1
SCHEMBL7608634 0.79 MAPT (0.59) ALOX5L3MBTL1MAPTRAB9AALDH1A1
SCHEMBL28205576 0.76 ALDH1A1 (0.60) MAPTALDH1A1ESR1CYP3A4ESR2
SCHEMBL7597336 0.75 ALDH1A1 (0.49) ALOX5MAPTALDH1A1ESR1CYP3A4
SCHEMBL7595880 0.74 ALDH1A1 (0.46) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL7599591 0.74 ALDH1A1 (0.57) L3MBTL1RAB9AALDH1A1ESR1CYP3A4
SCHEMBL7594842 0.74 ALDH1A1 (0.54) ALOX5RAB9AALDH1A1ESR1CYP3A4

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