SCHEMBL9779446

SCHEMBL9779446

CC(C)(C)OC(=O)NC(C(=O)NCC(=O)O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.51
CTSK P43235 12/20 0.51
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
REN P00797 1/20 0.44
CTSL P07711 3/20 0.41
CTSB P07858 1/20 0.41
ATM Q13315 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
SCHEMBL3685468 0.83 CTSK (0.48) CTSSCTSKCYP3A4CYP2D6CYP2C9
SCHEMBL1789747 0.83 CTSK (0.48) CTSSCTSKCYP3A4CYP2D6CYP2C9
SCHEMBL3220161 0.83 CTSK (0.48) CTSSCTSKCYP3A4CYP2D6CYP2C9
SCHEMBL11388207 0.81 CTSS (0.74) CTSSCTSKCTSLCTSBATM
SCHEMBL11522699 0.81 CTSK (0.46) CTSSCTSKCYP3A4CYP2D6CYP2C9
SCHEMBL14217667 0.80 CTSK (0.45) CTSSCTSKCYP3A4CYP2D6CYP2C9
SCHEMBL11691694 0.80 CTSK (0.45) CTSSCTSKCYP3A4CYP2D6CYP2C9
SCHEMBL7158579 0.80 CTSK (0.45) CTSSCTSKCYP3A4CYP2D6CYP2C9
SCHEMBL5027594 0.80 CTSK (0.45) CTSSCTSKCYP3A4CYP2D6CYP2C9
SCHEMBL9779450 0.79 CTSK (0.45) CTSSCTSKCYP3A4CYP2D6CYP2C9

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-5015659-A Cognition activators to slow aging of the brain CASSELLA AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed