SCHEMBL8358159

SCHEMBL8358159

CCC(O)(CC(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MIF P14174 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL8360630 0.83 MAPT (0.43) MAPTTSHRCYP1A2CYP3A4TDP1
SCHEMBL8363409 0.83 KCNN4 (0.52) MAPTMEN1KMT2ACYP19A1KDM4E
SCHEMBL5898523 0.83 SMN1; SMN2 (0.40) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL5898588 0.82 MAPT (0.46) MAPTCYP1A2KMT2AKDM4ELMNA
SCHEMBL5898527 0.82 TSHR (0.39) MAPTTSHRCYP3A4MEN1KMT2A
SCHEMBL25946135 0.78 TSHR (0.59) MAPTTSHRCYP1A2CYP3A4TDP1
SCHEMBL986565 0.77 GRIN2D (0.53) MAPTCYP1A2MIFMEN1KMT2A
SCHEMBL4457822 0.76 MIF (0.68) MAPTTSHRCYP1A2CYP3A4TDP1
SCHEMBL8360666 0.75 SCN5A (0.49) MAPTTSHRCYP1A2CYP3A4TDP1
SCHEMBL11062625 0.73 MEN1 (0.56) TSHRMIFMEN1KMT2ACYP19A1

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-1999041229-A1 HALOGENATED PHENYL ALCOHOL AMIDES (LIGANDS OF GABAB RECEPTOR) HAVING AN ANTICONVULSANT ACTIVITY CARVAJAL SANDOVAL GUILLERMO (MX) 1999-08-19 WO disclosed