SCHEMBL31629599

SCHEMBL31629599

CCOC(=O)[C@H](CSSC[C@H](N)C(=O)O)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.40
▸ CAD P27708 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NOS2 P35228 3/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL30416798 0.91 CAD (0.40) NOD1CADSMN1; SMN2CYP1A2CYP2C9
SCHEMBL2947915 0.88 ITGB1 (0.46) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL2947906 0.88 ITGB1 (0.46) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL2947907 0.88 ITGB1 (0.46) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL11773441 0.88 SMN1; SMN2 (0.46) NOD1CADSMN1; SMN2KDM4EMAPT
SCHEMBL11773446 0.88 SMN1; SMN2 (0.46) NOD1CADSMN1; SMN2KDM4EMAPT
SCHEMBL2953811 0.87 CYP1A2 (0.44) CADSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL2953807 0.87 CYP1A2 (0.44) CADSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL2953812 0.87 CYP1A2 (0.44) CADSMN1; SMN2KDM4EMAPTTHRB
N-Monoacetylcystine SCHEMBL468824 0.84 MAPT (0.48) NOD1SMN1; SMN2KDM4EMAPTTHRB

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-2025128586-A1 TRACELESS LINKER AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-06-19 — — WO disclosed
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