SCHEMBL13864933

SCHEMBL13864933

COC(=O)c1ccc(C(=O)Oc2c(C)cc(C(c3cc(C)c(C)c(C)c3)(C(F)(F)F)C(F)(F)F)cc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ NOTUM Q6P988 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ PDK1 Q15118 2/20 0.37
▸ PDK2 Q15119 2/20 0.37
▸ PDK3 Q15120 2/20 0.37
▸ PDK4 Q16654 2/20 0.37

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
SCHEMBL13865019 0.91 NOTUM (0.40) NOTUMALDH1A1MAPTKMT2ALMNA
SCHEMBL13864932 0.86 CFTR (0.38) TDP1NOTUMALDH1A1MAPTKMT2A
SCHEMBL13864911 0.84 TDP1 (0.47) TDP1NOTUMALDH1A1CA1CA2
SCHEMBL13864945 0.84 NOTUM (0.43) NOTUMALDH1A1MAPTKMT2AGAA
SCHEMBL17756693 0.82 TDP1 (0.52) TDP1ALDH1A1CA1CA2CA12
SCHEMBL13864978 0.81 CFTR (0.39) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL13865022 0.81 TDP1 (0.44) TDP1ALDH1A1CA1CA2CA12
SCHEMBL13864948 0.80 SOS1 (0.40) NOTUMMAPTKMT2A
SCHEMBL13864905 0.80 TSHR (0.47) TDP1NOTUMCA1CA2CA12
SCHEMBL16938081 0.79 MAPT (0.44) MAPTKMT2ALMNAGAA

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-20090123854-A1 IMAGE FORMING METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-05-14 — — US disclosed
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