SCHEMBL28658103

SCHEMBL28658103

O=C(N[C@H]1C[C@@H](C(=O)NC2CCCc3ccccc32)N(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ BIRC2 Q13490 6/20 0.42
▸ XIAP P98170 4/20 0.42
▸ BIRC3 Q13489 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX1 P07099 1/20 0.41

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
SCHEMBL16371245 1.00 HTT (0.42) HTTBIRC2XIAPBIRC3ALDH1A1
SCHEMBL27145258 1.00 HTT (0.42) HTTBIRC2XIAPBIRC3ALDH1A1
SCHEMBL16990979 0.89 BIRC2 (0.44) BIRC2XIAPBIRC3
SCHEMBL15799374 0.89 BIRC2 (0.44) BIRC2XIAPBIRC3
SCHEMBL16807540 0.89 BIRC2 (0.44) BIRC2XIAPBIRC3
SCHEMBL13164408 0.89 BIRC2 (0.44) BIRC2XIAPBIRC3
SCHEMBL31039889 0.89 BIRC2 (0.44) BIRC2XIAPBIRC3
SCHEMBL29547949 0.89 BIRC2 (0.44) BIRC2XIAPBIRC3
SCHEMBL14790334 0.87 BIRC2 (0.49) BIRC2XIAPBIRC3
SCHEMBL17457784 0.87 XIAP (0.43) BIRC2XIAPBIRC3EPHX1

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
CN-113412259-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2021-09-17 — — CN disclosed
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