SCHEMBL7423341

SCHEMBL7423341

Cc1cc(C)cc(COc2ccc(C(CNC(CC(C)C)C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PARP10 Q53GL7 1/20 0.45
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
FFAR1 O14842 3/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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 0.89 KMT2A (0.41) ALDH1A1CTSK
SCHEMBL7424624 0.88 GRN (0.44) ALDH1A1MAPTRXRARXRBFFAR1
SCHEMBL7421871 0.85 CTSK (0.48) ALDH1A1MAPTRXRARXRBCTSS
SCHEMBL7421360 0.81 GPR132 (0.53)
SCHEMBL7422327 0.79 GAA (0.47) MAPTFFAR1GAAHTT
SCHEMBL7423535 0.79 SMN1; SMN2 (0.44) GAAHTT
SCHEMBL5870561 0.79 ALDH1A1 (0.49) ALDH1A1PARP10FFAR1
SCHEMBL5870179 0.79 ALDH1A1 (0.49) ALDH1A1PARP10FFAR1
SCHEMBL7417901 0.78 FOLH1 (0.57) ALDH1A1MAPTCTSSCTSK
SCHEMBL7423140 0.78 CTSS (0.48) ALDH1A1MAPTFFAR1CTSSCTSK

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