SCHEMBL20439168

SCHEMBL20439168

Cc1ccc(Oc2ccccc2)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.53
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
GSTP1 P09211 1/20 0.42
SRD5A2 P31213 1/20 0.41
TTR P02766 1/20 0.41
AKR1C3 P42330 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19454753 0.87 KMT2A (0.49) TDP1L3MBTL1NPC1MEN1KMT2A
SCHEMBL19427261 0.86 LTA4H (0.53) LTA4HNR1H2BAXTSHRGAA
SCHEMBL15186253 0.84 LTA4H (0.50) LTA4HTSHRGSTP1SRD5A2NPC1
SCHEMBL8259798 0.81 LTA4H (0.49) LTA4HTSHRTDP1L3MBTL1NPC1
SCHEMBL2093112 0.80 LTA4H (0.55) LTA4HNR1H2BAXTSHRGSTP1
SCHEMBL5784934 0.79 LTA4H (0.53) LTA4HNR1H2BAXTSHRGSTP1
SCHEMBL11391950 0.79 LTA4H (0.53) LTA4HNR1H2BAXTSHRGSTP1
SCHEMBL11255857 0.79 LTA4H (0.53) LTA4HNR1H2BAXTSHRGSTP1
SCHEMBL6184207 0.79 LTA4H (0.53) LTA4HNR1H2BAXTSHRGAA
SCHEMBL16319058 0.78 ALOX5 (0.53) LTA4HGSTP1TDP1L3MBTL1NPC1

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-2018140186-A1 A PROCESS FOR PREPARING 5-PHENOXY-1(3H)ISOBENZOFURANONE KINGCHEM LIFE SCIENCE LLC (US) 2018-08-02 WO disclosed