SCHEMBL31333700

SCHEMBL31333700

CC(C)(C)OC(=O)[C@H]1CC[C@H](C(=O)N2CC=C(c3ccc([N+](=O)[O-])cc3F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM10 O14672 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ JAK1 P23458 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CDK9 P50750 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL31333879 0.88 CDK9 (0.40) JAK1TDP1MAPTKMT2AALDH1A1
SCHEMBL31333420 0.88 CDK9 (0.40) JAK1TDP1MAPTKMT2AALDH1A1
SCHEMBL10036179 0.85 PDK4 (0.51) JAK1MAPTALDH1A1PDK4LMNA
SCHEMBL29535433 0.85 PDK4 (0.51) JAK1MAPTALDH1A1PDK4LMNA
SCHEMBL31334486 0.82 CDK9 (0.38) ADAM10ERBB2JAK1MAPTKMT2A
SCHEMBL31334383 0.82 CDK9 (0.38) ADAM10ERBB2JAK1MAPTKMT2A
SCHEMBL15524420 0.77 ADAM10 (0.43) ADAM10ERBB2MAPTKMT2AALDH1A1
SCHEMBL15524421 0.77 ADAM10 (0.43) ADAM10ERBB2MAPTKMT2AALDH1A1
SCHEMBL31334497 0.77 ALDH1A1 (0.44) ADAM10ERBB2JAK1MAPTALDH1A1
SCHEMBL5004734 0.77 PDK4 (0.51) JAK1MAPTALDH1A1PDK4LMNA

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
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