SCHEMBL28815280

SCHEMBL28815280

COC(=O)C(C)(Nc1ccccc1)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KCNN4 O15554 1/20 0.47
SRC P12931 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
ELANE P08246 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
POLB P06746 1/20 0.38
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 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
SCHEMBL28531503 0.91 MAPT (0.59) MAPTKCNN4SRCNAPRTHSD17B10
SCHEMBL9756879 0.79 MAPT (0.59) MAPTKCNN4SRCNAPRTHSD17B10
SCHEMBL28229440 0.78 MAPT (0.57) MAPTKCNN4SRCNAPRTHSD17B10
SCHEMBL5514973 0.77 NAPRT (0.46) MAPTNAPRTHSD17B10TSHRCYP3A4
SCHEMBL11350456 0.77 NAPRT (0.52) MAPTNAPRTHSD17B10TSHRCYP3A4
SCHEMBL10438916 0.76 POLB (0.50) MAPTKCNN4SRCHSD17B10TSHR
SCHEMBL28599089 0.71 KCNN4 (0.51) MAPTKCNN4SRCELANEGAA
SCHEMBL28932488 0.70 KCNN4 (0.60) MAPTKCNN4SRCTSHRELANE
SCHEMBL27759040 0.70 MAPT (0.49) MAPTNAPRTHSD17B10TSHRCYP3A4
SCHEMBL28606629 0.70 KCNN4 (0.50) MAPTKCNN4SRCNAPRTHSD17B10

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
CN-104163768-A Method for preparing aniline derivative by catalyzing acyl migration with visible light CHINESE ACAD TECH INST PHYSICS 2014-11-26 CN disclosed