SCHEMBL21647754

SCHEMBL21647754

O=C(O)CCc1cccc(OCCCCc2ccccc2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.52
MCL1 Q07820 1/20 0.52
BCL2A1 Q16548 1/20 0.52
SLC16A3 O15427 4/20 0.52
FABP1 P07148 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FFAR1 O14842 3/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SQSTM1 Q13501 2/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL21647847 0.95 FABP1 (0.53) PTGDR2MCL1BCL2A1SLC16A3FABP1
SCHEMBL21647789 0.91 PTGDR2 (0.64) PTGDR2MCL1BCL2A1SLC16A3FABP1
SCHEMBL21647713 0.89 FFAR1 (0.60) MCL1BCL2A1SLC16A3TDP1L3MBTL1
SCHEMBL21647756 0.85 FABP1 (0.64) MCL1BCL2A1FABP1TDP1FFAR1
SCHEMBL31548946 0.85 FABP1 (0.64) MCL1BCL2A1FABP1TDP1FFAR1
SCHEMBL21647679 0.82 LTB4R (0.51) PTGDR2MCL1SLC16A3FABP1TDP1
SCHEMBL21647848 0.81 FABP1 (0.67) MCL1BCL2A1FABP1TDP1FFAR1
SCHEMBL31548985 0.81 FABP1 (0.67) MCL1BCL2A1FABP1TDP1FFAR1
SCHEMBL7425678 0.80 ALDH1A1 (0.55) MCL1SLC16A3NPC1RAB9ASQSTM1
SCHEMBL21647730 0.80 LTB4R (0.51) PTGDR2MCL1BCL2A1SLC16A3FABP1

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