SCHEMBL172030

SCHEMBL172030

C=C(C)C(=O)OC(C)(C)C(CC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
CA2 P00918 8/20 0.39
CA1 P00915 4/20 0.39
MAPK1 P28482 1/20 0.38
CTSK P43235 2/20 0.33
FDPS P14324 1/20 0.33
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL23494061 0.86 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL9768558 0.82 TSHR (0.42) TSHRCA2CA1MAPK1CTSK
SCHEMBL27605638 0.79 TSHR (0.37) TSHRCA2CA1MAPK1FDPS
SCHEMBL11753538 0.77 TSHR (0.45) TSHRCA2CA1FDPS
SCHEMBL15124634 0.77 TSHR (0.41) TSHRCA1FDPSTHRB
SCHEMBL27504175 0.76 TSHR (0.40) TSHRCA2CA1MAPK1CTSK
SCHEMBL10171006 0.75 CA2 (0.40) TSHRCA2CA1MAPK1CTSK
SCHEMBL23494263 0.75 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL23494309 0.74 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL27928065 0.74 TSHR (0.40) TSHRCA2CA1MAPK1CYP3A4

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
EP-2426154-A1 Photosensitive composition, pattern forming method using the photosensitive composition and compound for use in the photosensitive composition Fujifilm Corporation (JP) 2012-03-07 EP disclosed
EP-2020615-A1 Positive resist composition and pattern forming method FUJIFILM Corporation (JP) 2009-02-04 EP disclosed