SCHEMBL25196897

SCHEMBL25196897

COc1c(O)c(O)c(O)c(C=CC(=O)c2ccccc2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ NFKB2 Q00653 2/20 0.52
▸ RELA Q04206 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ TNFRSF1A P19438 4/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ MAOB P27338 2/20 0.49
▸ CYP1B1 Q16678 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HSPD1 P10809 2/20 0.49
▸ HSPE1 P61604 2/20 0.49

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
SCHEMBL28022176 0.95 BCHE (0.54) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL22806733 0.93 BCHE (0.54) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL30266761 0.93 BCHE (0.54) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL7197500 0.87 BCHE (0.54) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL7197497 0.87 BCHE (0.54) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL1110685 0.86 MAPT (0.62) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL31682971 0.86 MAPT (0.62) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL8146123 0.83 MAPT (0.59) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL5084928 0.82 CYP3A4 (0.49) BCHEMAPTCYP3A4RAB9ALMNA
SCHEMBL7193630 0.82 TNFRSF1A (0.59) BCHEMAPTCYP3A4RAB9ALMNA

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-2023086388-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2023-05-19 — — WO disclosed
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