SCHEMBL8404228

SCHEMBL8404228

CC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.43
LARS1 Q9P2J5 1/20 0.43
CAPNS1 P04632 1/20 0.42
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
BDKRB1 P46663 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8404245 0.90 CAPN1 (0.42) CAPN1LARS1CAPNS1CYP3A4CYP1A2
SCHEMBL8403868 0.86 MMP13 (0.45) HPGDALDH1A1
SCHEMBL8810086 0.86 CA2 (0.47) CAPN1CAPNS1TSHRKDM4EMEN1
SCHEMBL8404227 0.86 CAPN1 (0.54) CAPN1LARS1CAPNS1MEN1KMT2A
SCHEMBL8404230 0.86 CAPN1 (0.54) CAPN1LARS1CAPNS1MEN1KMT2A
SCHEMBL8406510 0.85 MMP2 (0.38) CAPN1CAPNS1MEN1KMT2ALMNA
SCHEMBL8407938 0.85 LARS1 (0.45) CAPN1LARS1CAPNS1CYP3A4CYP1A2
SCHEMBL8808273 0.82 SLC1A3 (0.39) CAPN1CAPNS1MAPTHTR7SLC1A3
SCHEMBL8406506 0.82 CA1 (0.39) CAPN1LARS1MAPTMEN1KMT2A
SCHEMBL8811338 0.82 CA1 (0.39) CAPN1LARS1CAPNS1CYP1A2CYP2D6

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
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed