SCHEMBL31723010

SCHEMBL31723010

CCC(CC)OC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
CTSS P25774 3/20 0.54
ATM Q13315 1/20 0.53
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
SYK P43405 1/20 0.51
CTRB1 P17538 2/20 0.50
ELANE P08246 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL31723009 1.00 CTSK (0.54) CTSKCTSLCTSBCTSSATM
SCHEMBL13823084 0.87 CTSK (0.57) CTSKCTSLCTSBCTSSATM
SCHEMBL30946598 0.85 CTSK (0.61) CTSKCTSLCTSBCTSSATM
SCHEMBL15080869 0.85 CTSK (0.61) CTSKCTSLCTSBCTSSATM
SCHEMBL16050481 0.84 CTSK (0.55) CTSKCTSLCTSBCTSSATM
SCHEMBL2949040 0.84 CTSK (0.57) CTSKCTSLCTSBCTSSATM
SCHEMBL2949041 0.84 CTSK (0.57) CTSKCTSLCTSBCTSSATM
SCHEMBL5075275 0.84 CTSK (0.60) CTSKCTSLCTSBCTSSATM
SCHEMBL5412160 0.84 MAPT (0.61) CTSKCTSLCTSBCTSSATM
SCHEMBL939737 0.84 MAPT (0.61) CTSKCTSLCTSBCTSSATM

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
EP-4647435-A1 MODULATOR FOR PROMOTING BINDING OF BUTYROPHILIN 3A1/2A1 Unicet Biotech. LLC (CN) 2025-11-12 EP disclosed