SCHEMBL7378945

SCHEMBL7378945

CC(C)CC(C(=O)O)N(CCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
AOC3 Q16853 2/20 0.45
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL7381782 0.93 HPGD (0.47) MEN1KMT2AMMP1MMP3MMP8
SCHEMBL7417897 0.88 FOLH1 (0.45) MEN1KMT2AMMP8
SCHEMBL7423137 0.88 FFAR1 (0.48) MEN1KMT2AMMP2
SCHEMBL7422318 0.87 FFAR1 (0.51)
SCHEMBL7422822 0.87 FFAR1 (0.51)
SCHEMBL7424796 0.84 HPGD (0.38) MEN1KMT2AMMP3MMP8HPGD
SCHEMBL7402281 0.84 MEN1 (0.44) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL7425533 0.84 TRPV1 (0.53) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL7420384 0.83 MMP12 (0.46)
SCHEMBL7427409 0.83 MMP12 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543120-A 2002-12-17 JP claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP claimed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO disclosed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP disclosed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO disclosed