SCHEMBL7420340

SCHEMBL7420340

CC(C)COc1cccc(C(CNC(CC(C)C)C(=O)O)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
PTGS1 P23219 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
KAT6A Q92794 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
FABP1 P07148 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
RAB9A P51151 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGFR P43088 3/20 0.39
MME P08473 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
SCHEMBL7425598 0.85 KMT2A (0.41) CTSKALDH1A1MME
SCHEMBL7426645 0.84 GPR132 (0.50) CTSLCTSSCTSKMME
SCHEMBL7427134 0.84 MEN1 (0.41) CTSK
SCHEMBL7424536 0.84 MAPK1 (0.42) CTSKMME
SCHEMBL7424457 0.84 NR4A2 (0.48) CTSKALDH1A1
SCHEMBL7424286 0.83 NR4A2 (0.49) RAB9A
SCHEMBL7421897 0.83 NR4A2 (0.49) RAB9A
SCHEMBL7378949 0.81 MME (0.50) CTSSCTSKALDH1A1MME
SCHEMBL7428422 0.80 AKR1C3 (0.45) CTSLCTSSCTSKPTGFR
SCHEMBL31483453 0.79 MAPT (0.53) MAPTNR1H4PTGS1HTR1DHTR1B

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed