SCHEMBL29989804

SCHEMBL29989804

CC(C)(C)OC(=O)NCCNC(=O)C1(N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 3/20 0.40
EPHX1 P07099 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL29990073 0.88 SMN1; SMN2 (0.39) USP2SMN1; SMN2EPHX1EPHX2ALOX15
SCHEMBL29990387 0.85 USP2 (0.38) USP2SMN1; SMN2EPHX1EPHX2ALOX15
SCHEMBL29989714 0.85 SMN1; SMN2 (0.38) ALDH1A1USP2SMN1; SMN2EPHX1EPHX2
SCHEMBL38657596 0.82 KEAP1 (0.36) USP2SMN1; SMN2EPHX1EPHX2ALOX15
SCHEMBL2800312 0.82 USP2 (0.47) USP2SMN1; SMN2EPHX1EPHX2ALOX15
SCHEMBL29989217 0.79 SMN1; SMN2 (0.38) USP2SMN1; SMN2EPHX1EPHX2ALOX15
SCHEMBL3923220 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2KMT2APOLBMAPT
SCHEMBL1692872 0.76 USP2 (0.47) ALDH1A1USP2SMN1; SMN2EPHX1EPHX2
SCHEMBL849290 0.75 USP2 (0.50) USP2SMN1; SMN2EPHX1EPHX2ALOX15
SCHEMBL1168818 0.75 USP2 (0.50) USP2SMN1; SMN2EPHX1EPHX2ALOX15

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-2022234867-A1 SULFONAMIDE HAVING MMP 7-INHIBITING ACTION 大正製薬株式会社 2022-11-10 WO disclosed