SCHEMBL6851744

SCHEMBL6851744

CC(C)(C)c1cccc(C([O])=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
GABRA1 P14867 2/20 0.53
GABRB2 P47870 2/20 0.53
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
PTPN5 P54829 1/20 0.37
CA1 P00915 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 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
Bicarbonate SCHEMBL238202 0.86 CA2 (0.59) CA2GABRA1GABRB2NPSR1ALOX12
Bicarbonate SCHEMBL21836092 0.86 CA2 (0.59) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL17500168 0.84 CA2 (0.61) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL39311 0.84 CA2 (0.61) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL30638079 0.84 CA2 (0.61) CA2GABRA1GABRB2NPSR1ALOX12
Bromide SCHEMBL6849791 0.82 CA2 (0.59) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL8647148 0.82 CA2 (0.59) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL7537141 0.81 ALDH1A1 (0.48) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL9190557 0.81 CA2 (0.57) CA2GABRA1GABRB2NPSR1ALOX12
Bromide SCHEMBL6849906 0.81 CA2 (0.57) CA2GABRA1GABRB2NPSR1ALOX12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783913-B2 POLYMERIC ACETAL RESIN CONTAINS UNITS (A), (B), (C), (D), AND (E). UNIT (A) IS A VINYL ALCOHOL UNIT. UNIT; (B) IS A POLYVINYL ACETAL UNIT CONTAINING AN R GROUP, WHERE R IS HYDROGEN, AN ALIPHATIC GROUP, AN AROMATIC GROUP, OR AN KODAK POLYCHROME GRAPHICS LLC 2004-08-31 US claimed
US-20030198887-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing EASTMAN KODAK COMPANY 2003-10-23 US claimed
EP-1350801-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing Kodak Polychrome Graphics GmbH (DE) 2003-10-08 EP claimed