SCHEMBL31601434

SCHEMBL31601434

CCOC(=O)[C@@H]1CC(=O)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ NFKB1 P19838 3/20 0.40
▸ NFKB2 Q00653 3/20 0.40
▸ RELA Q04206 3/20 0.40
▸ BTK Q06187 1/20 0.39
▸ CTSL P07711 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22661081 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL22645710 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL22645711 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL23036707 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL30279188 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL28803526 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL31500135 0.86 GAA (0.48) GAANFKB1NFKB2RELABTK
SCHEMBL28537514 0.81 BTK (0.54) KMT2AGAANFKB1NFKB2RELA
SCHEMBL28540918 0.81 BTK (0.54) KMT2AGAANFKB1NFKB2RELA
SCHEMBL30596812 0.80 BTK (0.47) KMT2AGAANFKB1NFKB2RELA

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-2025111464-A1 JAK2 V617F INHIBITORS AND METHODS OF USE THEREOF RAYTHERA, INC. (US) 2025-05-30 — — WO disclosed
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