SCHEMBL25591306

SCHEMBL25591306

CC(C)OCC(=O)NCCCCNC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ FAAH O00519 1/20 0.40
▸ ADH1B P00325 2/20 0.39
▸ ADH1C P00326 2/20 0.39
▸ ADH1A P07327 2/20 0.39
▸ ADH7 P40394 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ ADH4 P08319 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL25466978 0.98 FAAH (0.42) ALDH1A1LMNAKMT2AFAAHADH1B
SCHEMBL23945202 0.98 FAAH (0.42) ALDH1A1LMNAKMT2AFAAHADH1B
SCHEMBL24935617 0.91 ALDH1A1 (0.36) ALDH1A1LMNAKMT2AFAAHADH1B
SCHEMBL24607224 0.91 EPHX2 (0.43) ALDH1A1LMNAKMT2AFAAHADH1B
SCHEMBL24608172 0.90 EPHX2 (0.44) ALDH1A1LMNAKMT2AFAAHADH1B
SCHEMBL23945678 0.85 KMT2A (0.41) ALDH1A1LMNAKMT2AFAAHADH1B
SCHEMBL25090249 0.84 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AFAAHPOLB
SCHEMBL23696371 0.82 KMT2A (0.63) ALDH1A1LMNAKMT2AFAAHMEN1
SCHEMBL22905020 0.82 KDM4E (0.54) ALDH1A1LMNAKMT2AFAAHMEN1
SCHEMBL14227461 0.82 FAAH (0.59) KMT2AFAAHMEN1EPHX1SMN1; SMN2

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-4194457-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co., Ltd. (CN) 2023-06-14 — — EP disclosed
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