SCHEMBL27926512

SCHEMBL27926512

CC(C)Nc1c(C(=O)O)ccc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELL P14151 1/20 0.52
▸ SELP P16109 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ PDE4A P27815 1/20 0.38

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
SCHEMBL30607066 0.79 KDM4E (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL21722620 0.79 KDM4E (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL39247 0.72 SELL (0.57) SELLSELPALDH1A1CA12CA1
SCHEMBL12877225 0.71 KMT2A (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL12877141 0.71 KDM4C (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL9412049 0.70 MMP2 (0.50) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL77708 0.69 SELL (1.00) SELLSELPALDH1A1CA12CA1
SCHEMBL31236653 0.69 SELL (1.00) SELLSELPALDH1A1CA12CA1
SCHEMBL15631144 0.69 ALOX5 (0.51) SELLSELPALDH1A1ALOX5KDM4E
SCHEMBL26045802 0.69 POLB (0.38) ALDH1A1PTGS2KDM4EMAPTMAPK1

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-101923288-B Chemically amplified positive photoresist composition and pattern forming process SHINETSU CHEMICAL CO 2013-06-26 — — CN disclosed
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