SCHEMBL25636434

SCHEMBL25636434

CC(C)(c1cc(CO)c(O)c(CO)c1)c1c2ccccc2c(-c2cc(CO)c(O)c(CO)c2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KLF10 Q13118 1/20 0.41
▸ HTT P42858 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ CYP2C19 P33261 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ RCE1 Q9Y256 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL25636438 0.92 ACHE (0.39) KLF10HTTALOX15MAPK1CNR1
SCHEMBL4852210 0.76 KLF10 (0.55) KLF10HTTALOX15MAPK1CNR1
SCHEMBL26134510 0.75 ALOX15 (0.61) KLF10HTTALOX15MAPK1CYP2C19
SCHEMBL224429 0.75 ALOX15 (0.61) KLF10HTTALOX15MAPK1CYP2C19
SCHEMBL14028985 0.73 ALOX15 (0.59) KLF10HTTALOX15MAPK1CYP2C19
SCHEMBL10051856 0.73 KLF10 (0.59) KLF10HTTALOX15MAPK1CNR1
SCHEMBL18101031 0.72 KLF10 (0.50) KLF10HTTALOX15MAPK1CNR1
SCHEMBL20225109 0.71 SHBG (0.42) KDM4E
SCHEMBL8733565 0.69 KLF10 (0.59) KLF10HTTALOX15MAPK1CYP2C19
SCHEMBL10051855 0.69 ESR1 (0.52) KLF10HTTALOX15MAPK1CYP2C19

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-2023110660-A1 THICK FILM-FORMING COMPOSITION AND METHOD FOR MANUFACTURING CURED FILM USING THE SAME MERCK PATENT GMBH (DE) 2023-06-22 — — WO disclosed
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