SCHEMBL18558012

SCHEMBL18558012

CC(CI)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
SLC7A5 Q01650 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
GRIA4 P48058 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ELANE P08246 2/20 0.36
STAT3 P40763 2/20 0.35
CA7 P43166 1/20 0.35
RHEB Q15382 1/20 0.35

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
SCHEMBL7428972 0.88 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL6367420 0.85 TSHR (0.47) CA12CA1CA2CA9CA14
SCHEMBL19264484 0.84 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL8566225 0.83 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL10556917 0.83 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL31037713 0.83 FFAR1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL8569509 0.81 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL10168904 0.81 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL12859992 0.80 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL24732028 0.80 CA12 (0.49) CA12CA1CA2CA9CA14

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-9580623-B2 Patterning process using a boron phosphorus silicon glass film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-28 US disclosed