SCHEMBL29920385

SCHEMBL29920385

Cc1ccc2c(c1)OCCC2(O)CS(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
RORC P51449 2/20 0.34
AKR1B1 P15121 1/20 0.33
MGAT2 Q10469 1/20 0.32
ACACB O00763 1/20 0.32
HPGD P15428 3/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 3/20 0.31
NPSR1 Q6W5P4 3/20 0.31
JAK2 O60674 2/20 0.31
PKM P14618 2/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL29920625 0.89 MAP3K14 (0.54) MAP3K14CA12CA1CA7CA14
SCHEMBL29920603 0.89 MAP3K14 (0.38) MAP3K14CA12CA1CA7CA14
SCHEMBL29920520 0.87 IDO1 (0.39) MAP3K14RORC
SCHEMBL29920739 0.84 AKR1B1 (0.40) MAP3K14CA12CA1CA7CA14
SCHEMBL29920606 0.84 AKR1B1 (0.40) MAP3K14CA12CA1CA7CA14
SCHEMBL29920670 0.79 CA12 (0.35) CA12CA1CA7CA14RORC
SCHEMBL29920736 0.77 AKR1B1 (0.34) CA12CA1CA7CA14RORC
SCHEMBL29920997 0.73 CA12 (0.36) CA12CA1CA7CA14RORC
SCHEMBL29920828 0.73 CA12 (0.36) CA12CA1CA7CA14RORC
SCHEMBL29920356 0.72 AKR1B1 (0.46) CA12CA1CA7CA14RORC

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-2022217248-A1 SUBSTITUTED SULFONAMIDE-CHROMAN COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed