SCHEMBL7100804

SCHEMBL7100804

CC(C)CNC(=O)[C@@H](CCCCO)N(C=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FOLH1 Q04609 1/20 0.37
EPOR P19235 4/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
CTSB P07858 1/20 0.35
BACE1 P56817 2/20 0.35
REN P00797 1/20 0.35
CTSD P07339 1/20 0.35

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
SCHEMBL7098463 0.85 ALDH1A1 (0.40) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL7097121 0.81 TLR2 (0.42) HPGDALDH1A1MEN1KMT2A
SCHEMBL7515528 0.80 SLC1A3 (0.38) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL7100866 0.77 HPGD (0.48) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL11028392 0.75 MME (0.40) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL8910551 0.74 PTGES (0.42) CTSB
SCHEMBL27530431 0.74 CTSB (0.44) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL10694799 0.74 LAP3 (0.44) HPGDALDH1A1CTSB
SCHEMBL7095567 0.72 CYP2D6 (0.35) HPGDCYP2C19
SCHEMBL10540689 0.72 MAPT (0.42) MAPTFOLH1

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