SCHEMBL5869765

SCHEMBL5869765

COc1ccc(C(NC(CC(C)C)C(=O)O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.52
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
ANPEP P15144 2/20 0.47
ATM Q13315 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
LDHA P00338 1/20 0.43
ADAM17 P78536 1/20 0.43

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
SCHEMBL8255482 1.00 FOLH1 (0.52) FOLH1CTSLCTSSCTSBCTSK
SCHEMBL12861495 0.86 CTSS (0.53) FOLH1CTSLCTSSCTSKANPEP
SCHEMBL8249122 0.83 FOLH1 (0.55) FOLH1CTSLCTSSCTSKANPEP
SCHEMBL8248672 0.83 FOLH1 (0.55) FOLH1CTSLCTSSCTSKANPEP
SCHEMBL8255247 0.83 FOLH1 (0.55) FOLH1CTSLCTSSCTSKANPEP
SCHEMBL5869744 0.83 FOLH1 (0.55) FOLH1CTSLCTSSCTSKANPEP
SCHEMBL13624189 0.82 CTSL (0.69) CTSLCTSSCTSBCTSK
SCHEMBL5670369 0.81 CTSK (0.51) FOLH1CTSLCTSSCTSBCTSK
SCHEMBL7960075 0.79 GPR88 (0.59) FOLH1CTSLCTSSANPEP
SCHEMBL8255411 0.79 FOLH1 (0.51) FOLH1CTSLCTSSCTSBCTSK

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