SCHEMBL2220768

SCHEMBL2220768

Cc1cccc(O)c1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA7 P43166 4/20 0.50
TRPA1 O75762 2/20 0.45
ATM Q13315 1/20 0.45
THRB P10828 1/20 0.44
GRM6 O15303 1/20 0.42
OPRM1 P35372 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.38
OPRD1 P41143 2/20 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
SCHEMBL7753553 0.91 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL15724450 0.89 GRM6 (0.46) CA12CA1CA2CA9CA14
SCHEMBL9700022 0.82 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL2718238 0.81 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL17374999 0.81 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL16056668 0.81 GRM6 (0.41) CA12CA1CA2CA9CA14
SCHEMBL18131333 0.81 CES2 (0.44) GRM6KMT2ACYP2C9CYP2C19NPSR1
SCHEMBL27379544 0.81 GABRA1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL6349586 0.81 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL1905153 0.80 CA1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177454-A1 RESIST MATERIAL AND PATTERN FORMATION METHOD USING THE RESIST MATERIAL PANASONIC CORPORATION (JP) 2011-07-21 US claimed
US-20110177454-A1 RESIST MATERIAL AND PATTERN FORMATION METHOD USING THE RESIST MATERIAL PANASONIC CORPORATION (JP) 2011-07-21 US disclosed