SCHEMBL27475122

SCHEMBL27475122

CC(C)(C)c1cc(C(CCCC(=O)O)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.45
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
GAA P10253 3/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 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
SCHEMBL28049859 0.91 VCAM1 (0.47) VCAM1GLRA3GLRBALOX5PTGS1
SCHEMBL39475 0.84 GPR84 (0.40) GLRA3GLRBGAACA2CA1
SCHEMBL8419030 0.84 GPR84 (0.40) GLRA3GLRBGAACA2CA1
SCHEMBL11739834 0.84 GPR84 (0.40) GLRA3GLRBGAACA2CA1
SCHEMBL2542322 0.84 GPR84 (0.40) GLRA3GLRBGAACA2CA1
SCHEMBL11728968 0.84 GPR84 (0.40) GLRA3GLRBGAACA2CA1
SCHEMBL1278397 0.83 LMNA (0.44) GLRA3GLRBGPR55GAACA2
SCHEMBL11778178 0.81 ALDH1A1 (0.45) VCAM1GLRA3GLRBGPR55GAA
SCHEMBL28023915 0.81 VCAM1 (0.47) VCAM1GLRA3GLRBPTGS1GPR55
SCHEMBL7187527 0.81 VCAM1 (0.36) VCAM1PTGS2ALDH1A1TDP1TSHR

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
CN-1143093-A Sulphur absorption speed reduced plastic HOECHST AG (DE) 1997-02-19 CN disclosed