SCHEMBL9757550

SCHEMBL9757550

Cc1cccc(C(C)(C)c2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.54
GLRB P48167 1/20 0.54
LDHA P00338 4/20 0.40
LDHB P07195 4/20 0.40
POLB P06746 2/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 2/20 0.37
CA2 P00918 2/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALB P02768 1/20 0.35
KCNK3 O14649 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 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
SCHEMBL9345896 0.89 GLRA3 (0.60) GLRA3GLRBLDHALDHBPOLB
SCHEMBL9757538 0.85 GLRA3 (0.58) GLRA3GLRBLDHALDHBPOLB
SCHEMBL9342077 0.83 GLRA3 (0.56) GLRA3GLRBLDHALDHBCNR1
SCHEMBL9324917 0.83 GLRA3 (0.50) GLRA3GLRBLDHALDHBCNR1
Water SCHEMBL9345929 0.82 GLRA3 (0.49) GLRA3GLRBLDHALDHBCNR1
Water SCHEMBL9341157 0.82 GLRA3 (0.49) GLRA3GLRBLDHALDHBCNR1
SCHEMBL9341203 0.82 GLRA3 (0.49) GLRA3GLRBLDHALDHBCNR1
Water SCHEMBL9343037 0.81 GLRA3 (0.47) GLRA3GLRBLDHALDHBCNR1
SCHEMBL7780129 0.80 GLRA3 (0.78) GLRA3GLRBLDHALDHBPOLB
SCHEMBL9342070 0.78 GLRA3 (0.75) GLRA3GLRBLDHALDHBPOLB

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-5049685-A Nuclear substituted salicylic acids and their salts SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1991-09-17 US disclosed