SCHEMBL27257584

SCHEMBL27257584

N=[S@@](=O)(CC[C@H](N)C(=O)O)CCC1(c2ccccc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PMP22 Q01453 1/20 0.40
▸ DPP4 P27487 1/20 0.38
▸ KIF11 P52732 6/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALPI P09923 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ XIAP P98170 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ KYNU Q16719 2/20 0.35

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
SCHEMBL27254861 1.00 PMP22 (0.40) PMP22DPP4KIF11LMNASMN1; SMN2
SCHEMBL27257475 0.88 SLC6A4 (0.39) PMP22CYP2C19
SCHEMBL32670641 0.84 SLC6A9 (0.37) PMP22KIF11
SCHEMBL30788892 0.84 SLC6A9 (0.37) PMP22KIF11
SCHEMBL27257486 0.84 SLC6A9 (0.37) PMP22KIF11
SCHEMBL27257479 0.84 SLC6A9 (0.37) PMP22KIF11
SCHEMBL27270182 0.81 PMP22 (0.33) PMP22
SCHEMBL1261305 0.80 DPP4 (0.46) DPP4KIF11LMNASMN1; SMN2NPSR1
SCHEMBL27255244 0.78 LTA4H (0.43) PMP22
SCHEMBL25241533 0.77 PMP22 (0.47) PMP22KMT2ACYP2C19

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-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 — — WO disclosed
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