SCHEMBL3235115

SCHEMBL3235115

CCCCc1ccc(B(O)O)c(CCCC)c1CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.50
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TYR P14679 3/20 0.43
LPL P06858 7/20 0.39
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL28980653 0.84 LIPG (0.41) LIPGCA1CA2LPLTRPV1
SCHEMBL30044969 0.83 TYR (0.50) LIPGCA1CA2TYRHTT
SCHEMBL4633219 0.83 TYR (0.50) LIPGCA1CA2TYRHTT
SCHEMBL1133572 0.77 TYR (0.53) LIPGTYRHTTMEN1TP53
SCHEMBL31230428 0.77 TYR (0.53) LIPGTYRHTTMEN1TP53
SCHEMBL11711991 0.77 LIPG (0.74) LIPGTYRLPLTRPV1MGLL
SCHEMBL167918 0.76 TYR (0.55) TYRHTTNPC1HPGDMAPK1
Ammonia Solution, Strong SCHEMBL2921373 0.76 TYR (0.46) LIPGCA1CA2TYRHTT
SCHEMBL28916682 0.76 TYR (0.41) TYRHTTNPC1HPGDMAPK1
SCHEMBL3140999 0.76 LIPG (0.49) LIPGCA1CA2TYRLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018547-A1 AMINOQUINOLINE COMPOUNDS PFIZER INC. (US) 2010-02-18 WO disclosed