SCHEMBL31716337

SCHEMBL31716337

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CTSK P43235 9/20 0.44
▸ CYP2D6 P10635 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CTSS P25774 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GLS O94925 1/20 0.36

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
SCHEMBL1371814 0.85 CA1 (0.46) CA1CA2CA7CTSKCYP2D6
SCHEMBL14923714 0.81 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL6248080 0.81 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL16130384 0.81 CA1 (0.43) CA1CA2CA7CTSKCYP2D6
SCHEMBL17884312 0.80 KMT2A (0.49) CA1CA2CA7CTSKKMT2A
SCHEMBL16130357 0.79 SMN1; SMN2 (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL433380 0.79 SMN1; SMN2 (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL8777248 0.79 CTSK (0.55) CA1CA2CA7CTSKCTSS
SCHEMBL16130376 0.78 CA1 (0.40) CA1CA2CA7CTSKCYP2D6
SCHEMBL13631291 0.78 CA1 (0.51) CA1CA2CA7CTSKCYP2D6

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
WO-2025226861-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2025-10-30 — — WO disclosed
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