SCHEMBL13039989

SCHEMBL13039989

C=CCOC(=O)Oc1ccc(C2(C)CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL13039984 0.86 ADORA3 (0.45) TSHRTP53CA1CA2GAA
SCHEMBL14080715 0.83 ADORA3 (0.43) CA1CA2MEN1KMT2AADORA3
SCHEMBL10870487 0.81 CYP3A4 (0.50) TSHRTP53CA1CA2MEN1
SCHEMBL13039991 0.80 CA1 (0.36) TSHRTP53CA1CA2GAA
SCHEMBL14357615 0.76 ESR1 (0.49) TP53GAAMEN1KMT2ACYP3A4
SCHEMBL1598844 0.76 LMNA (0.48) TSHRTP53CA1CA2GAA
SCHEMBL19482467 0.76 ELANE (0.54) TSHRCA2L3MBTL1MEN1KMT2A
SCHEMBL6152948 0.76 CYP3A4 (0.46) TSHRCA1CA2GAAMMP2
SCHEMBL13039980 0.75 CA1 (0.36) TSHRTP53CA1CA2GAA
SCHEMBL15887464 0.75 MAPT (0.50) TP53L3MBTL1MEN1KMT2AADORA3

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
US-7829252-B2 Imaging member XEROX CORPORATION (US) 2010-11-09 — — US disclosed
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