SCHEMBL31334638

SCHEMBL31334638

O=C(NC1CCN(C2CCN(C(=O)O)CC2)CC1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ CTSL P07711 1/20 0.57
▸ CTSB P07858 1/20 0.57
▸ CTSK P43235 1/20 0.57
▸ TSHR P16473 1/20 0.56
▸ DPP4 P27487 7/20 0.54
▸ DPP7 Q9UHL4 7/20 0.54
▸ KCNH2 Q12809 4/20 0.54
▸ HSD11B1 P28845 1/20 0.54
▸ EPHX1 P07099 1/20 0.53
▸ TGM2 P21980 2/20 0.50
▸ F13A1 P00488 1/20 0.48
▸ TGM1 P22735 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GPR55 Q9Y2T6 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
SCHEMBL1870932 0.93 ALDH1A1 (0.67) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL854004 0.91 ALDH1A1 (0.62) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL2551898 0.88 DPP4 (0.62) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30289225 0.86 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL31334311 0.86 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL18123354 0.86 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL13740409 0.85 CTSL (0.68) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL3003867 0.85 CTSL (0.68) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL3667335 0.85 CTSL (0.68) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL16604745 0.84 ALDH1A1 (0.63) ALDH1A1GAACTSLCTSBCTSK

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
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 — — EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 — — WO disclosed
Send feedback