SCHEMBL10499243

SCHEMBL10499243

N#Cc1ccccc1C(=O)OCCl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 6/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
PPIA P62937 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL120324 0.83 TSHR (0.67) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL27986491 0.81 TSHR (0.61) ALDH1A1TSHRNPC1LMNANPSR1
SCHEMBL514137 0.80 ALDH1A1 (0.50) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL16127330 0.80 ALDH1A1 (0.63) MAPTALDH1A1KDM4ETSHRPOLB
SCHEMBL31575930 0.80 ALDH1A1 (0.69) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL24112449 0.80 MAPT (0.53) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL514136 0.80 MAPT (0.50) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL5712800 0.79 CYP3A4 (0.70) MAPTALDH1A1KDM4ETSHRGAA
SCHEMBL9277021 0.78 TSHR (0.71) ALDH1A1KDM4ETSHRPOLBLMNA
SCHEMBL181067 0.77 ALDH1A1 (0.55) MAPTALDH1A1KDM4ETSHRGAA

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-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed