SCHEMBL10066565

SCHEMBL10066565

Cc1ccc(C(C)(C)NC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 1/20 0.40
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HPGD P15428 2/20 0.32
ATM Q13315 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL8763427 0.91 MAPT (0.34) TSHRMAPTALDH1A1HDAC1NPSR1
SCHEMBL11622630 0.91 TSHR (0.39) TSHRNPC1RAB9AMAPTCYP2A6
SCHEMBL11706941 0.83 APP (0.34) TSHRMAPTCA1CA2NPSR1
SCHEMBL11911427 0.81 MEN1 (0.35) TSHRNPC1RAB9ACYP2A6ALDH1A1
SCHEMBL19579133 0.81 MEN1 (0.45) TSHRNPC1RAB9ACYP2A6MEN1
SCHEMBL16708764 0.81 KMT2A (0.42) NPC1RAB9AMAPTALDH1A1ACHE
SCHEMBL1911380 0.80 HDAC3 (0.41) MAPTALDH1A1HDAC1HDAC6KMT2A
SCHEMBL8763481 0.79 TSHR (0.38) TSHRMAPTALDH1A1CA1CA2
SCHEMBL8916294 0.78 KIF11 (0.42) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL9850911 0.78 TYR (0.45) TSHRNPC1RAB9AMAPTALDH1A1

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-2012080382-A1 COMPOSITIONS OF VISCOELASTIC SURFACTANT AND HYDROPHOBICALLY MODIFIED POLYMER AS AQUEOUS THICKENERS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-06-21 WO disclosed