SCHEMBL3667199

SCHEMBL3667199

CC(=O)c1c(Cc2ccccc2O)ccc(C(=O)OC(C)N)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ KMT2A Q03164 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ NOX4 Q9NPH5 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32

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
Hydrochloric Acid SCHEMBL2587462 0.84 SCN1A (0.36) CA12CA1CA2CA7CA9
SCHEMBL2473860 0.84 SCN1A (0.36) CA12CA1CA2CA7CA9
SCHEMBL3637878 0.84 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL3807346 0.76 SCN1A (0.34) CA12CA1CA2CA7CA9
SCHEMBL3814655 0.72 HSPA5 (0.48) HSPA5THRBPRKCIAKR1B1CNR2
SCHEMBL5195832 0.71 LMNA (0.58) CA12CA1CA2CA7CA9
SCHEMBL2471593 0.70 CA12 (0.33) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2587948 0.70 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL4380290 0.70 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL11790742 0.69 HSPA5 (0.41) HSPA5KMT2ATHRBEGFRNOX4

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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