SCHEMBL3637878

SCHEMBL3637878

CCNC(C)OC(=O)c1ccc(Cc2ccccc2O)c(C(C)=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA7 P43166 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA14 Q9ULX7 3/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ HSPA5 P11021 1/20 0.35
▸ EGFR P00533 1/20 0.32
▸ NOX4 Q9NPH5 1/20 0.32
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ POLB P06746 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
SCHEMBL3667199 0.84 CA12 (0.38) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2587462 0.83 SCN1A (0.36) CA12CA1CA2CA7CA9
SCHEMBL2473860 0.83 SCN1A (0.36) CA12CA1CA2CA7CA9
Acetic Acid SCHEMBL28177636 0.75 LMNA (0.50) NPC1RAB9ALMNATSHRKDM4E
SCHEMBL3807346 0.74 SCN1A (0.34) CA12CA1CA2CA7CA9
SCHEMBL2471593 0.69 CA12 (0.33) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2587948 0.69 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL3814655 0.69 HSPA5 (0.48) PRKCIHSPA5IDH1THRB
Hydrochloric Acid SCHEMBL2581310 0.67 SCN1A (0.39) CA12CA1CA2CA7CA9
SCHEMBL3805681 0.67 SCN1A (0.39) CA12CA1CA2CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170826-A1 PRO-DRUGS OF NSAIAS WITH VERY HIGH SKIN AND MEMBRANES PENETRATION RATES AND THEIR NEW MEDICINAL USES Techfields Inc (US) 2010-04-07 — — EP disclosed
WO-2008149181-A1 PRO-DRUGS OF NSAIAS WITH VERY HIGH SKIN AND MEMBRANES PENETRATION RATES AND THEIR NEW MEDICINAL USES TECHFIELDS INC (US) 2008-12-11 — — WO disclosed
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