SCHEMBL29959217

SCHEMBL29959217

COCCO[C@@H]1CCN(c2nccc(S(C)(=O)=O)n2)C[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
CD38 P28907 1/20 0.35
ALDH1A1 P00352 3/20 0.34
RBP4 P02753 2/20 0.33
TTR P02766 2/20 0.33
EGFR P00533 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
PDPK1 O15530 1/20 0.33
ACACB O00763 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
SMO Q99835 1/20 0.32
HCRTR2 O43614 2/20 0.32

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
SCHEMBL23579067 1.00 CTSS (0.36) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL23579068 1.00 CTSS (0.36) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL24969956 1.00 CTSS (0.36) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL23579069 1.00 CTSS (0.36) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL23579286 0.84 KDM1A (0.38) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL23593521 0.84 KDM1A (0.38) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL23593602 0.84 KDM1A (0.38) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL23578759 0.84 KDM1A (0.38) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL23593536 0.84 KDM1A (0.38) CTSSKDM4EHPGDCD38ALDH1A1
SCHEMBL23593515 0.84 ALDH1A1 (0.43) KDM4EHPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135642-B Inhibitors of EGFR mutant forms 缆图药品公司 2025-03-04 CN disclosed
EP-4081515-A1 INHIBITORS OF MUTANT FORMS OF EGFR Blueprint Medicines Corporation (US) 2022-11-02 EP disclosed
CN-115135642-A Inhibitors of mutant forms of EGFR 缆图药品公司 2022-09-30 CN disclosed