SCHEMBL31233221

SCHEMBL31233221

COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1CCl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.67
▸ MEN1 O00255 7/20 0.67
▸ KMT2A Q03164 7/20 0.67
▸ LMNA P02545 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ MAPT P10636 5/20 0.65
▸ ABCG2 Q9UNQ0 3/20 0.63
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CAPN1 P07384 2/20 0.59
▸ P4HB P07237 1/20 0.58
▸ CALM1 P0DP23 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ F3 P13726 1/20 0.58
▸ XDH P47989 1/20 0.58
▸ TNFRSF1A P19438 1/20 0.57
▸ CXCL12 P48061 1/20 0.57
▸ CXCR4 P61073 1/20 0.57
▸ THRB P10828 1/20 0.56

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
SCHEMBL25285449 1.00 CTSL (0.67) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL25191683 0.89 MEN1 (0.72) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL30384302 0.85 MEN1 (0.68) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL25207219 0.85 MEN1 (0.68) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL25199676 0.84 CYP19A1 (0.74) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL3440660 0.84 ABCG2 (0.88) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL3440656 0.84 ABCG2 (0.88) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL25199646 0.84 ABCG2 (0.88) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL30384263 0.84 ABCG2 (0.88) CTSLMEN1KMT2ALMNAALDH1A1
SCHEMBL30383289 0.84 ABCG2 (0.88) CTSLMEN1KMT2ALMNAALDH1A1

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-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 — — WO disclosed
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