SCHEMBL31297038

SCHEMBL31297038

CC(C)=CCC[C@]1(C)C=Cc2cc(C(=O)/C=C/c3ccc(O)cc3)c(O)cc2O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.57
▸ PTPN1 P18031 5/20 0.54
▸ PDE4D Q08499 1/20 0.49
▸ CTSK P43235 1/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ CNR2 P34972 1/20 0.46

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
4-Hydroxyisolonchocarpin SCHEMBL13535456 0.82 XDH (0.81) XDHPTPN1ALOX5MEN1LMNA
Lespeol SCHEMBL5522457 0.82 PTPN1 (0.69) PTPN1PDE4DCTSKDHODHALOX5
SCHEMBL29775511 0.80 PTPN1 (0.51) PTPN1CTSKDHODHALOX5PTGS1
Cordiachromene A SCHEMBL9356402 0.78 PTGS1 (0.68) XDHPTPN1PDE4DCTSKALOX5
Cordiachromene A SCHEMBL16666288 0.78 PTGS1 (0.68) XDHPTPN1PDE4DCTSKALOX5
Cordiachromene A SCHEMBL16666262 0.78 PTGS1 (0.68) XDHPTPN1PDE4DCTSKALOX5
SCHEMBL10536271 0.77 PTGS1 (0.60) XDHPTPN1PDE4DCTSKALOX5
SCHEMBL16244637 0.75 ALOX5 (0.55) PTPN1CTSKALOX5MEN1LMNA
SCHEMBL16244639 0.75 ALOX5 (0.55) PTPN1CTSKALOX5MEN1LMNA
SCHEMBL19960677 0.75 XDH (0.80) XDHPTPN1MAPTKMT2AALDH1A1

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
CN-119074703-A Application of chalcone compounds in preparation of anti-ischemic cerebral apoplexy drugs 暨南大学 2024-12-06 — — CN disclosed
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