SCHEMBL11713619

SCHEMBL11713619

CCCCCCCCSC(C)Sc1ncnc(Oc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ PTGS1 P23219 5/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ HPN P05981 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ SIRT5 Q9NXA8 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
SCHEMBL8065727 0.90 CA1 (0.35) CA1CA2PTGS1PTGS2HPN
SCHEMBL11173084 0.90 CA1 (0.35) CA1CA2PTGS1PTGS2HPN
SCHEMBL11182460 0.90 CA1 (0.35) CA1CA2PTGS1PTGS2HPN
SCHEMBL11172096 0.90 CA1 (0.35) CA1CA2PTGS1PTGS2HPN
SCHEMBL11141268 0.86 PTGS1 (0.36) CA1CA2PTGS1PTGS2HPN
SCHEMBL11713623 0.82 PTGS1 (0.34) CA1CA2PTGS1PTGS2HPN
SCHEMBL11173246 0.79 GAA (0.43) MAPTALOX15
SCHEMBL11169680 0.79 CA1 (0.34) CA1CA2PTGS1PTGS2HPN
SCHEMBL11174038 0.79 CA1 (0.34) CA1CA2PTGS1PTGS2HPN
SCHEMBL11176405 0.76 CA1 (0.40) CA1CA2PTGS1PTGS2HPN

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
US-3960809-A POLYMERS CIBA-GEIGY CORPORATION (US) 1976-06-01 — — US claimed
US-4001181-A ACTINIC RADIATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1977-01-04 — — US disclosed
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