SCHEMBL5870172

SCHEMBL5870172

CC(C)CC(NC(CC(=O)O)Cc1ccco1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
APEX1 P27695 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
KMT2A Q03164 1/20 0.39
MME P08473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL8254423 1.00 POLB (0.42) POLBAPEX1CTDSP1TDP1L3MBTL1
SCHEMBL5869880 0.78 CYP2C19 (0.49) POLBTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL8258150 0.78 CYP2C19 (0.49) POLBTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL22092483 0.76 MIF (0.44) POLBAPEX1CTDSP1TDP1L3MBTL1
SCHEMBL20088246 0.76 CTSS (0.45) POLBTDP1KMT2AALDH1A1NPC1
SCHEMBL5869820 0.75 FOLH1 (0.48) TDP1MMEALDH1A1MAPK1
SCHEMBL8248805 0.75 FOLH1 (0.48) TDP1MMEALDH1A1MAPK1
SCHEMBL18906025 0.73 MIF (0.47) POLBAPEX1CTDSP1TDP1L3MBTL1
SCHEMBL19143361 0.73 MIF (0.47) POLBAPEX1CTDSP1TDP1L3MBTL1
SCHEMBL5869885 0.73 MMP3 (0.47) MME

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed