SCHEMBL7098463

SCHEMBL7098463

C=CCC[C@H](C(=O)NCC(C)C)N(C=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.38
CTSB P07858 4/20 0.35
FAAH O00519 2/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSS P25774 2/20 0.34
CTSL P07711 1/20 0.34
CTSK P43235 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB2 P49721 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
SCHEMBL7100804 0.85 HPGD (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7100866 0.77 HPGD (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL11028392 0.75 MME (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7097121 0.75 TLR2 (0.42) ALDH1A1MEN1KMT2AHPGD
SCHEMBL27530431 0.74 CTSB (0.44) ALDH1A1MEN1KMT2ACTSBCTSS
SCHEMBL10694799 0.74 LAP3 (0.44) ALDH1A1HPGDCTSB
SCHEMBL27744904 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACTSB
SCHEMBL16166282 0.71 SLC1A3 (0.41) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5447568 0.70 KMT2A (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6298147 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2A

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