SCHEMBL2554530

SCHEMBL2554530

O=C(O)[C@H](c1ccccc1)N1CCCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.96
LMNA P02545 3/20 0.93
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
TSHR P16473 1/20 0.60
CYP1A2 P05177 5/20 0.57
CYP2C9 P11712 5/20 0.57
CYP2C19 P33261 5/20 0.57
CYP3A4 P08684 4/20 0.57
CYP2D6 P10635 4/20 0.57
KCNA5 P22460 4/20 0.57
KCNH2 Q12809 4/20 0.57
KCNE1 P15382 1/20 0.57
KDM4E B2RXH2 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL1808956 1.00 GAA (0.96) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL628011 1.00 GAA (0.96) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL15063248 1.00 GAA (0.96) GAALMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL2988022 0.98 GAA (1.00) GAALMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL629184 0.98 GAA (1.00) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL628330 0.98 LMNA (0.96) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL2227113 0.98 LMNA (0.96) GAALMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL15063253 0.96 LMNA (1.00) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL18061849 0.94 LMNA (0.89) GAALMNAALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2553047 0.88 LMNA (0.78) GAALMNAALDH1A1MEN1KMT2A

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed