SCHEMBL28624463

SCHEMBL28624463

Cc1ccccc1S(=O)(=O)OCCOc1cc(F)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 10/20 0.47
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
PLA2G2A P14555 1/20 0.39
PTGER1 P34995 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FABP4 P15090 1/20 0.37
MRGPRX4 Q96LA9 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
SCHEMBL28619068 0.85 KMT2A (0.56) KAT6AKMT2APKMMRGPRX4
SCHEMBL21818250 0.81 CA12 (0.47) KAT6AKMT2AMEN1PLA2G2A
SCHEMBL31133367 0.81 CA12 (0.47) KAT6AKMT2AMEN1PLA2G2A
SCHEMBL6907032 0.79 CYP1A2 (0.45) KMT2AMEN1PKMCYP1A2CYP2C9
SCHEMBL9867771 0.77 L3MBTL1 (0.47) KAT6AKMT2AMEN1CYP1A2CYP2C9
SCHEMBL9310724 0.74 F2 (0.43)
SCHEMBL8654494 0.74 KMT2A (0.45) KMT2AMEN1PKMCYP1A2CYP2C9
SCHEMBL28614332 0.74 CYP1A2 (0.46) KAT6AKMT2AMEN1CYP1A2CYP2C9
SCHEMBL8675724 0.73 L3MBTL1 (0.44) KMT2AMEN1PKMCYP1A2CYP2C9
SCHEMBL18304657 0.72 PLA2G2A (0.61) KAT6AKMT2AMEN1PLA2G2A

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
CN-113164459-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed