SCHEMBL21647713

SCHEMBL21647713

O=C(O)CCc1ccc(OCCCCc2ccccc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.60
TDP1 Q9NUW8 3/20 0.59
POLB P06746 1/20 0.57
MCL1 Q07820 1/20 0.52
BCL2A1 Q16548 1/20 0.52
S1PR1 P21453 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KEAP1 Q14145 3/20 0.50
NFE2L2 Q16236 3/20 0.50
SQSTM1 Q13501 2/20 0.50
LMNA P02545 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
TBXA2R P21731 1/20 0.48
TBXAS1 P24557 1/20 0.48
SLC16A3 O15427 1/20 0.47
FFAR4 Q5NUL3 2/20 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
SCHEMBL21647754 0.89 PTGDR2 (0.52) FFAR1TDP1POLBMCL1BCL2A1
SCHEMBL21647679 0.84 LTB4R (0.51) TDP1MCL1L3MBTL1NPC1RAB9A
SCHEMBL21647847 0.83 FABP1 (0.53) FFAR1TDP1MCL1BCL2A1L3MBTL1
SCHEMBL7425678 0.82 ALDH1A1 (0.55) MCL1NPC1RAB9AKEAP1NFE2L2
SCHEMBL21647730 0.82 LTB4R (0.51) TDP1MCL1BCL2A1L3MBTL1KEAP1
SCHEMBL21647789 0.81 PTGDR2 (0.64) MCL1BCL2A1SLC16A3
SCHEMBL31548929 0.81 FFAR1 (0.65) FFAR1TDP1POLBMCL1BCL2A1
SCHEMBL21647716 0.81 FFAR1 (0.65) FFAR1TDP1POLBMCL1BCL2A1
SCHEMBL3897238 0.81 KEAP1 (0.55) TDP1POLBMCL1NPC1RAB9A
SCHEMBL3564970 0.79 SLC16A3 (0.59) TDP1MCL1BCL2A1NPC1RAB9A

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-2020027150-A1 BENZENE DERIVATIVE 小野薬品工業株式会社 2020-02-06 WO disclosed