SCHEMBL2547997

SCHEMBL2547997

Cc1ccccc1C(C(=O)O)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
LMNA P02545 3/20 0.58
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
CHRNA7 P36544 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 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
SCHEMBL2549619 0.98 LMNA (0.60) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL13984355 0.86 MC4R (0.49) GAALMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3639303 0.84 MC4R (0.48) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL303839 0.81 GAA (0.61) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL1829881 0.81 GAA (0.61) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL27974791 0.78 GAA (0.58) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL15625171 0.78 ALDH1A1 (0.48) LMNAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1808956 0.78 GAA (0.96) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL15063248 0.78 GAA (0.96) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL628011 0.78 GAA (0.96) GAALMNAMEN1KMT2AALDH1A1

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