SCHEMBL7425607

SCHEMBL7425607

CC(C)CC(NCC(C(=O)O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.48
CTSS P25774 5/20 0.48
CTSK P43235 5/20 0.48
CTSB P07858 3/20 0.48
CACNA1B Q00975 2/20 0.47
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PTGFR P43088 3/20 0.41
MMP3 P08254 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
FOLH1 Q04609 1/20 0.40

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
SCHEMBL7426514 0.89 ALDH1A1 (0.46) CTSLCTSSCTSKCTSBCACNA1B
SCHEMBL7424801 0.88 CTSS (0.46) CTSLCTSSCTSKCTSBPSEN1
SCHEMBL7418370 0.86 PSEN1 (0.60) CTSLCTSSCTSKCTSBPSEN1
SCHEMBL7427413 0.86 CTSS (0.48) CTSLCTSSCTSKCTSBPSEN1
SCHEMBL7420389 0.86 CTSS (0.48) CTSLCTSSCTSKCTSBPSEN1
SCHEMBL7419482 0.84 GRN (0.49) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL7417901 0.83 FOLH1 (0.57) CTSSCTSKFOLH1
SCHEMBL7378949 0.83 MME (0.50) CTSSCTSKMMP9FOLH1
SCHEMBL7424022 0.83 CTSS (0.51) CTSLCTSSCTSKCTSBPSEN1
SCHEMBL7424096 0.82 NTSR1 (0.49) CTSLCTSSCTSKCTSB

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