SCHEMBL25893618

SCHEMBL25893618

CCOC(C)(C)CCNC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.45
▸ MLYCD O95822 1/20 0.45
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18478564 0.81 EPHX2 (0.51) MLYCDNPC1RAB9AALDH1A1HPGD
SCHEMBL2316651 0.78 KDM4E (0.57) TRPV1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL25893605 0.78 ALDH1A1 (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL17998207 0.77 HPGD (0.57) TRPV1NPC1RAB9AALDH1A1HPGD
SCHEMBL25231901 0.77 TRPV1 (0.57) TRPV1ALDH1A1NFKB1MAPK1
SCHEMBL20033911 0.75 MLYCD (0.45) MLYCDNPC1RAB9AALDH1A1HPGD
SCHEMBL19407447 0.75 MLYCD (0.45) MLYCDNPC1RAB9AALDH1A1HPGD
SCHEMBL1490749 0.75 HPGD (0.62) TRPV1NPC1RAB9AALDH1A1HPGD
SCHEMBL387493 0.75 L3MBTL1 (0.59) TRPV1MLYCDNPC1RAB9AALDH1A1
SCHEMBL4688446 0.75 DGAT1 (0.47) TRPV1NPC1RAB9AALDH1A1HPGD

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
US-11713405-B1 Methods of disassembling apparel products having thioester adhesives CreateMe Technologies LLC (US) 2023-08-01 — — US disclosed
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