SCHEMBL28392941

SCHEMBL28392941

CCCCc1cc(OP(O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.41
▸ CA2 P00918 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPN P05981 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ ALOX5 P09917 4/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TYR P14679 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ GAA P10253 2/20 0.34
▸ XBP1 P17861 1/20 0.34

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
SCHEMBL28411660 0.86 ALOX5 (0.42) MAPTALOX15ALOX5TYRPTGS2
SCHEMBL22284270 0.82 NPSR1 (0.37) CA2CA1HPNMAPTALOX15
SCHEMBL29287253 0.81 TYR (0.38) CA2CA1MAPTALOX15ALOX5
SCHEMBL13981778 0.81 HSPA5 (0.44) HSPA5CA2CA1CYP2C9CYP2C19
SCHEMBL8829995 0.79 CA2 (0.61) CA2CA1CYP2C9CYP2C19HIF1A
SCHEMBL9114680 0.79 HSPA5 (0.66) HSPA5CA2CA1CYP2C9CYP2C19
SCHEMBL235651 0.75 NR5A2 (0.51) HSPA5CA2CA1CYP2C9CYP2C19
SCHEMBL12750201 0.74 HSPA5 (0.64) HSPA5CA2CA1CYP2C9CYP2C19
SCHEMBL224217 0.73 HSPA5 (0.62) HSPA5CA2CYP2C9CYP2C19HIF1A
SCHEMBL4259021 0.73 HSPA5 (0.58) HSPA5CA2CA1CYP2C9CYP2C19

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-108774481-B Water-based adhesive for medical equipment packaging sealing bag 上海欧畅新材料科技有限公司 2020-05-15 — — CN disclosed
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