SCHEMBL24935617

SCHEMBL24935617

CC(C)OCC(=O)NCCNC=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ ADH1B P00325 3/20 0.34
▸ ADH1A P07327 3/20 0.34
▸ ADH7 P40394 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ADH1C P00326 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ EPHX1 P07099 1/20 0.31

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
SCHEMBL25591306 0.91 ALDH1A1 (0.42) ALDH1A1ADH1BADH1AADH7FAAH
SCHEMBL23945202 0.90 FAAH (0.42) ALDH1A1ADH1BADH1AADH7FAAH
SCHEMBL25466978 0.90 FAAH (0.42) ALDH1A1ADH1BADH1AADH7FAAH
SCHEMBL23945678 0.87 KMT2A (0.41) ALDH1A1ADH1BADH1AADH7FAAH
SCHEMBL24607224 0.83 EPHX2 (0.43) ALDH1A1ADH1BADH1AADH7FAAH
SCHEMBL24608172 0.82 EPHX2 (0.44) ALDH1A1ADH1BADH1AADH7FAAH
SCHEMBL24808265 0.79 ALDH1A1 (0.39) ALDH1A1FAAHLMNAKMT2ARAB9A
SCHEMBL22525933 0.79 KDM4E (0.41) ALDH1A1FAAHLMNAKMT2ARAB9A
SCHEMBL25884918 0.79 KMT2A (0.50) ALDH1A1FAAHLMNAKMT2AHSD17B10
SCHEMBL25063764 0.79 ALDH1A1 (0.36) ALDH1A1LMNAKMT2ARAB9AHSD17B10

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-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 — — EP disclosed
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