SCHEMBL28240299

SCHEMBL28240299

CCC(C)(CC)C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
RIPK1 Q13546 3/20 0.45
TP53 P04637 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL12848104 0.85 RIPK1 (0.57) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL9611270 0.79 KMT2A (0.62) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL30881933 0.78 NPSR1 (0.54) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL11504157 0.76 NPSR1 (0.52) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL11032674 0.74 KMT2A (0.53) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL14362033 0.73 NPSR1 (0.58) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL15861800 0.72 RAB9A (0.43) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL2781437 0.71 ALDH1A1 (0.63) KMT2ASMN1; SMN2NPSR1ALDH1A1HTT
SCHEMBL14200369 0.71 ALDH1A1 (0.57) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL5706507 0.70 KMT2A (0.47) KMT2AMEN1CYP2C19CYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658803-B Synthesis method of N, N-dialkyl diphenyl propionamide 青岛科技大学 2020-11-24 CN disclosed
CN-108658803-A A kind of synthetic method of N, N- dialkyl group diphenylpropanamide 青岛科技大学 2018-10-16 CN disclosed