SCHEMBL11044940

SCHEMBL11044940

C=CCOC(=O)C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
CASP1 P29466 2/20 0.36
LIG1 P18858 1/20 0.35
KIF11 P52732 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3022514 0.82 KMT2A (0.42) HSD17B10KIF11CYP1A2CYP2D6MEN1
SCHEMBL3729799 0.75 USP2 (0.35) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL21925529 0.74 CYP3A4 (0.40) CYP3A4ALDH1A1TSHRHSD17B10HTT
SCHEMBL21925531 0.74 CYP3A4 (0.40) CYP3A4ALDH1A1TSHRHSD17B10HTT
SCHEMBL3624082 0.71 CYP3A4 (0.45) CYP3A4ALDH1A1TSHRHSD17B10HTT
SCHEMBL7880434 0.71 ALDH1A1 (0.42) CYP3A4ALDH1A1TSHRHSD17B10HTT
SCHEMBL19015920 0.71 ALDH1A1 (0.42) CYP3A4ALDH1A1TSHRHSD17B10HTT
SCHEMBL18307298 0.70 KMT2A (0.44) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL7368150 0.70 MMP8 (0.36) CYP3A4ALDH1A1TSHRSMN1; SMN2CASP1
SCHEMBL9300028 0.70 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2

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
JP-59101460-A None JP disclosed
JP-S59101460-A PREPARATION OF 3-AMINO-4-METHYL-2-AZETIDINONE TEIKOKU HORMONE MFG CO LTD 1984-06-12 JP disclosed