SCHEMBL7984152

SCHEMBL7984152

C[C@H](NC(=O)OC(C)(C)C)C(=O)NOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ATM Q13315 2/20 0.52
PPARA Q07869 1/20 0.52
KLK5 Q9Y337 2/20 0.51
KMT2A Q03164 1/20 0.51
SYK P43405 1/20 0.49
REN P00797 2/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL6842587 1.00 CTSS (0.53) CTSSCTSKCTSLCTSBATM
SCHEMBL6842589 1.00 CTSS (0.53) CTSSCTSKCTSLCTSBATM
SCHEMBL5738490 0.88 CTSS (0.51) CTSSCTSKCTSLCTSBATM
SCHEMBL20516430 0.87 ATM (0.52) CTSSCTSKCTSLCTSBATM
SCHEMBL20516427 0.87 ATM (0.52) CTSSCTSKCTSLCTSBATM
SCHEMBL16453567 0.86 CTSS (0.53) CTSSCTSKCTSLCTSBATM
SCHEMBL10416562 0.86 CTSS (0.53) CTSSCTSKCTSLCTSBATM
SCHEMBL20516388 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBATM
SCHEMBL20516385 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBATM
SCHEMBL16087907 0.85 ATM (0.53) CTSSCTSKCTSLCTSBATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 US disclosed