SCHEMBL14296406

SCHEMBL14296406

CB(O)c1ccc(C(=O)NCCOCCNC(=O)c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 1/20 0.47
CA2 P00918 2/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL14296399 0.92 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1CA2NPC1HPGD
SCHEMBL17998207 0.87 HPGD (0.57) SMN1; SMN2ALDH1A1NPC1HPGDKMT2A
SCHEMBL18532452 0.87 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1CA2NPC1HPGD
SCHEMBL8827862 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2NPC1HPGD
SCHEMBL1490749 0.84 HPGD (0.62) SMN1; SMN2ALDH1A1NPC1HPGDKMT2A
SCHEMBL18356092 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2NPC1HPGD
SCHEMBL14296402 0.82 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL25231901 0.81 TRPV1 (0.57) ALDH1A1TRPV1
SCHEMBL13499229 0.79 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL18698019 0.78 HPGD (0.70) SMN1; SMN2ALDH1A1NPC1HPGDKMT2A

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 2 patents. 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
US-20120322145-A1 THREE-DIMENSIONAL CELL ADHESION MATRIX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-12-20 US disclosed