SCHEMBL2799331

SCHEMBL2799331

COc1ccccc1-c1ccccc1NC(=O)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
GAA P10253 2/20 0.57
PKM P14618 1/20 0.57
ACHE P22303 1/20 0.56
BACE1 P56817 1/20 0.56
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
JAK1 P23458 1/20 0.54
KMT2A Q03164 1/20 0.53
MGLL Q99685 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PARP14 Q460N5 1/20 0.52
TYK2 P29597 1/20 0.51
USP2 O75604 1/20 0.48

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
SCHEMBL27339399 0.88 SMN1; SMN2 (0.85) SMN1; SMN2GAAPKMACHEBACE1
SCHEMBL14503304 0.81 SMN1; SMN2 (1.00) SMN1; SMN2GAAPKMACHEBACE1
SCHEMBL5111603 0.80 ALDH1A1 (0.51) SMN1; SMN2GAAKDM4EALDH1A1KMT2A
SCHEMBL8132848 0.78 SMN1; SMN2 (0.74) SMN1; SMN2GAAPKMACHEBACE1
SCHEMBL29361009 0.78 SMN1; SMN2 (0.74) SMN1; SMN2GAAPKMACHEBACE1
SCHEMBL13868011 0.77 HCRTR1 (0.53) SMN1; SMN2PKMACHEBACE1KDM4E
SCHEMBL6028756 0.76 MEN1 (0.55) SMN1; SMN2GAAALDH1A1TSHRKMT2A
SCHEMBL6028723 0.75 MEN1 (0.55) GAAPKMKDM4EALDH1A1TSHR
SCHEMBL25344739 0.74 GSK3B (0.56) SMN1; SMN2ALDH1A1TSHRJAK1KMT2A
SCHEMBL29721597 0.74 GAA (0.60) SMN1; SMN2GAAPKMKDM4EALDH1A1

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
WO-2010094029-A2 ASYMMETRIC CYCLOPROPANATION WITH SUCCINIMIDYL DIAZOACETATE UNIVERSITY OF SOUTH FLORIDA (US) 2010-08-19 WO disclosed