SCHEMBL7100858

SCHEMBL7100858

CCCCCCC(=O)c1cccc(C[C@H]2COC(=O)N2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.39
HTR1B P28222 5/20 0.39
KMT2A Q03164 2/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
HSD17B3 P37058 5/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
HTR1F P30939 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
S1PR5 Q9H228 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL7099852 1.00 HTR1D (0.39) HTR1DHTR1BKMT2AHTR1AHTR2A
SCHEMBL6666419 0.73 HSD17B3 (0.53) KMT2AHSD17B3MEN1ALDH1A1MAPT
SCHEMBL13085731 0.72 HSD17B3 (0.62) KMT2AHSD17B3MEN1ALDH1A1MAPT
SCHEMBL17192796 0.72 HSD17B3 (0.51) KMT2AHSD17B3MEN1ALDH1A1MAPT
SCHEMBL27566212 0.71 HSD17B3 (0.51) KMT2AHSD17B3MEN1ALDH1A1MAPT
SCHEMBL27663680 0.71 NPC1 (0.53) HSD17B3THRATHRB
SCHEMBL31494618 0.71 HTR1D (0.46) HTR1DHTR1BKMT2AHTR1AHTR2A
SCHEMBL7100856 0.70 NAAA (0.47)
SCHEMBL7099850 0.70 NAAA (0.47)
SCHEMBL9748000 0.70 HSD17B3 (0.49) KMT2AHSD17B3MEN1ALDH1A1MAPT

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
EP-0815084-B1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE PROCTER & GAMBLE (US) 2003-08-27 EP disclosed
US-5672598-A MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed