SCHEMBL9345896

SCHEMBL9345896

Cc1c(C(C)(C)c2ccccc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.60
GLRB P48167 1/20 0.60
TNFRSF1A P19438 1/20 0.40
ALOX5 P09917 2/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LDHA P00338 3/20 0.38
LDHB P07195 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA2 P00918 3/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 2/20 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
SCHEMBL9342077 0.94 GLRA3 (0.56) GLRA3GLRBTNFRSF1AALOX5PTGS2
SCHEMBL9324917 0.94 GLRA3 (0.50) GLRA3GLRBALDH1A1CYP3A4ESR1
Water SCHEMBL9341157 0.93 GLRA3 (0.49) GLRA3GLRBALDH1A1CYP3A4ESR1
SCHEMBL9341203 0.93 GLRA3 (0.49) GLRA3GLRBALDH1A1CYP3A4ESR1
Water SCHEMBL9345929 0.93 GLRA3 (0.49) GLRA3GLRBALDH1A1CYP3A4ESR1
Water SCHEMBL9343037 0.91 GLRA3 (0.47) GLRA3GLRBALDH1A1CYP3A4ESR1
SCHEMBL9757538 0.90 GLRA3 (0.58) GLRA3GLRBALOX5PTGS2PTGS1
SCHEMBL9757550 0.89 GLRA3 (0.54) GLRA3GLRBALOX5PTGS2PTGS1
SCHEMBL9351686 0.87 GLRA3 (0.41) GLRA3GLRBALOX5PTGS2PTGS1
SCHEMBL9757911 0.85 GLRA3 (0.40) GLRA3GLRBALOX5PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370389-B1 Nuclear substituted salicylic acids and their salts SANKO KAIHATSU KAGAKU KENK (JP) 1994-09-14 EP claimed
US-5049685-A Nuclear substituted salicylic acids and their salts SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1991-09-17 US claimed
EP-0425687-B1 CLATHRATE COMPOUND OF RING-SUBSTITUTED SALICYLIC ACID SALT SANKO KAIHATSU KAGAKU KENK (JP) 1994-07-06 EP disclosed
EP-0425687-A1 CLATHRATE COMPOUND OF RING-SUBSTITUTED SALICYLIC ACID SALT Sanko Kaihatsu Kagaku Kenkyusho (JP) 1991-05-08 EP disclosed