SCHEMBL11577707

SCHEMBL11577707

[O]C(C(=O)O)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.38
OPRL1 P41146 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL20930584 0.82 CYP2D6 (0.50) HTTIDO1TDO2CYP2D6SRC
SCHEMBL196782 0.80 LMNA (0.52) HTTIDO1TDO2CYP2D6SRC
SCHEMBL8127769 0.80 LMNA (0.52) HTTIDO1TDO2CYP2D6SRC
SCHEMBL8133019 0.80 CES2 (0.45) HTTIDO1TDO2CYP2D6SRC
SCHEMBL196781 0.80 LMNA (0.52) HTTIDO1TDO2CYP2D6SRC
SCHEMBL8133022 0.80 CES2 (0.45) HTTIDO1TDO2CYP2D6SRC
SCHEMBL30670484 0.80 LMNA (0.52) HTTIDO1TDO2CYP2D6SRC
SCHEMBL25240807 0.78 IDO1 (0.43) HTTIDO1TDO2CYP2D6SRC
SCHEMBL4824347 0.78 HTT (0.49) HTTIDO1TDO2LMNAMAPK1
SCHEMBL1439143 0.78 IDO1 (0.43) HTTIDO1TDO2CYP2D6SRC

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-4130514-A RESIN, ADRENOCORTICOTROPIC ACTIVITY ARMOUR PHARMACEUTICAL COMPANY (US) 1978-12-19 US claimed