SCHEMBL31233380

SCHEMBL31233380

COc1ccc(/C=C/Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 7/20 0.56
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ MAPT P10636 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ KEAP1 Q14145 1/20 0.52
▸ NFE2L2 Q16236 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HPGD P15428 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ USP2 O75604 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
SCHEMBL25223384 0.85 KEAP1 (0.69) FKBP1APOLBALDH1A1MAPTTP53
SCHEMBL30383954 0.85 KEAP1 (0.69) FKBP1APOLBALDH1A1MAPTTP53
SCHEMBL25198003 0.85 KEAP1 (0.69) FKBP1APOLBALDH1A1MAPTTP53
SCHEMBL25196048 0.76 KEAP1 (0.56) ALDH1A1MAPTTP53KDM4EKEAP1
SCHEMBL30382772 0.76 KEAP1 (0.56) ALDH1A1MAPTTP53KDM4EKEAP1
SCHEMBL25205904 0.75 KEAP1 (0.55) ALDH1A1MAPTTP53KDM4EKEAP1
SCHEMBL30383426 0.75 KEAP1 (0.55) ALDH1A1MAPTTP53KDM4EKEAP1
SCHEMBL5692309 0.72 ALDH1A1 (1.00) FKBP1APOLBALDH1A1MAPTTP53
SCHEMBL31428602 0.72 ALDH1A1 (1.00) FKBP1APOLBALDH1A1MAPTTP53
SCHEMBL12359393 0.72 FKBP1A (1.00) FKBP1APOLBALDH1A1MAPTKDM4E

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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