SCHEMBL31233302

SCHEMBL31233302

COc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1COc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.66
▸ ABCG2 Q9UNQ0 7/20 0.64
▸ MEN1 O00255 6/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ MAOB P27338 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ TP53 P04637 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ LMNA P02545 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ NFKB1 P19838 1/20 0.61
▸ NFKB2 Q00653 1/20 0.61
▸ RELA Q04206 1/20 0.61

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
SCHEMBL25285110 1.00 CYP19A1 (0.66) CYP19A1ABCG2MEN1KMT2AMAOB
SCHEMBL25214881 0.93 MEN1 (0.71) CYP19A1ABCG2MEN1KMT2AALDH1A1
SCHEMBL25221504 0.91 CYP19A1 (0.67) CYP19A1ABCG2MEN1KMT2AMAOB
SCHEMBL25190979 0.91 CYP19A1 (0.61) CYP19A1ABCG2MEN1KMT2AMAOB
SCHEMBL30383841 0.91 CYP19A1 (0.61) CYP19A1ABCG2MEN1KMT2AMAOB
SCHEMBL25191661 0.90 CYP19A1 (0.63) CYP19A1ABCG2MEN1KMT2AMAOB
SCHEMBL25234192 0.90 CYP19A1 (0.63) CYP19A1ABCG2MEN1KMT2AMAOB
SCHEMBL25193206 0.90 MEN1 (0.76) CYP19A1ABCG2MEN1KMT2AALDH1A1
SCHEMBL25190643 0.90 CTSL (0.67) CYP19A1ABCG2MEN1KMT2AALDH1A1
SCHEMBL25219723 0.90 CYP19A1 (0.66) CYP19A1ABCG2MEN1KMT2AMAOB

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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