SCHEMBL17635466

SCHEMBL17635466

CC(O)(NC(=O)c1ccc(B(O)O)cc1)OCCNC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1490749 0.80 HPGD (0.62) TRPV1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL18356092 0.78 SMN1; SMN2 (0.48) TRPV1ALDH1A1NPC1RAB9APOLB
SCHEMBL14296399 0.78 SMN1; SMN2 (0.62) TRPV1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL17998207 0.76 HPGD (0.57) TRPV1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL25231901 0.76 TRPV1 (0.57) TRPV1ALDH1A1POLBNFKB1MAPK1
SCHEMBL14314081 0.76 TRPV1 (0.39) TRPV1ALDH1A1NPC1RAB9APOLB
SCHEMBL14296406 0.75 SMN1; SMN2 (0.54) TRPV1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL14314083 0.75 TRPV1 (0.40) TRPV1ALDH1A1RAB9APOLBKMT2A
SCHEMBL25893618 0.75 TRPV1 (0.45) TRPV1ALDH1A1NPC1RAB9AHPGD
SCHEMBL13499229 0.75 ALDH1A1 (0.78) ALDH1A1NPC1RAB9APOLBHPGD

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-9296988-B2 Three-dimensional cell adhesion matrix THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-29 — — US disclosed
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