SCHEMBL11713623

SCHEMBL11713623

CCCCCCCCSCCSc1ncnc(Oc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.34
▸ PTGS2 P35354 5/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGES O14684 2/20 0.31
▸ HPN P05981 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31
▸ GPR84 Q9NQS5 6/20 0.31
▸ PLA2G4B P0C869 1/20 0.31

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
SCHEMBL11141268 0.93 PTGS1 (0.36) PTGS1PTGS2CA1CA2GAA
SCHEMBL11182464 0.89 PTGS1 (0.36) PTGS1PTGS2CA1CA2SMN1; SMN2
SCHEMBL8065729 0.89 PTGS1 (0.36) PTGS1PTGS2CA1CA2SMN1; SMN2
SCHEMBL11173085 0.89 PTGS1 (0.36) PTGS1PTGS2CA1CA2SMN1; SMN2
SCHEMBL11172099 0.89 PTGS1 (0.36) PTGS1PTGS2CA1CA2SMN1; SMN2
SCHEMBL11169685 0.84 PTGS1 (0.36) PTGS1PTGS2CA1CA2SMN1; SMN2
SCHEMBL11174053 0.84 PTGS1 (0.36) PTGS1PTGS2CA1CA2SMN1; SMN2
SCHEMBL11713619 0.82 CA1 (0.33) PTGS1PTGS2CA1CA2HPN
SCHEMBL11176405 0.82 CA1 (0.40) PTGS1PTGS2CA1CA2SMN1; SMN2
SCHEMBL39436 0.82 CA1 (0.40) PTGS1PTGS2CA1CA2SMN1; SMN2

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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