SCHEMBL13745281

SCHEMBL13745281

Bc1cc(Cl)cc(CC(=O)OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CYP4Z1 Q86W10 1/20 0.41
MAOB P27338 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
FPR1 P21462 1/20 0.39
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6367851 0.88 MAPT (0.51) MAPTCYP4Z1MAOBGAAABCB1
SCHEMBL6372557 0.83 MAPT (0.48) MAPTCYP4Z1MAOBGAAALDH1A1
SCHEMBL13745785 0.83 HSP90AB1 (0.53) MAPTGAAALDH1A1MEN1HPGD
SCHEMBL137425 0.82 HSP90AB1 (0.51) MAPTCYP4Z1MAOBGAAALDH1A1
SCHEMBL134983 0.81 MAPT (0.46) MAPTCYP4Z1MAOBGAAABCB1
SCHEMBL10218934 0.81 CYP4F2 (0.47) MAPTCYP4Z1MAOBGAAALDH1A1
SCHEMBL27748102 0.78 MAPT (0.44) MAPTCYP4Z1MAOBGAAALDH1A1
SCHEMBL12135664 0.77 GPR35 (0.47) MAPTCYP4Z1MAOBGAAALDH1A1
SCHEMBL24690441 0.76 MAPT (0.47) MAPTCYP4Z1GAAALDH1A1KDM4E
SCHEMBL12020856 0.75 SMN1; SMN2 (0.45) MAPTCYP4Z1MAOBALDH1A1MEN1

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-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed