SCHEMBL9757538

SCHEMBL9757538

Cc1ccc(C(C)(C)c2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.58
GLRB P48167 1/20 0.58
LDHA P00338 5/20 0.43
LDHB P07195 5/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CA2 P00918 2/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIN2C Q14957 2/20 0.38
ALB P02768 1/20 0.38
RXRA P19793 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5 P09917 1/20 0.35
TSHR P16473 1/20 0.35
HSPA5 P11021 1/20 0.34

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 0.90 GLRA3 (0.60) GLRA3GLRBLDHALDHBPTGS1
SCHEMBL9757550 0.85 GLRA3 (0.54) GLRA3GLRBLDHALDHBPTGS1
SCHEMBL9342077 0.84 GLRA3 (0.56) GLRA3GLRBLDHALDHBPTGS1
SCHEMBL9324917 0.84 GLRA3 (0.50) GLRA3GLRBLDHALDHBALDH1A1
SCHEMBL7780129 0.83 GLRA3 (0.78) GLRA3GLRBLDHALDHBPTGS1
Water SCHEMBL9345929 0.82 GLRA3 (0.49) GLRA3GLRBLDHALDHBALDH1A1
Water SCHEMBL9341157 0.82 GLRA3 (0.49) GLRA3GLRBLDHALDHBALDH1A1
SCHEMBL9341203 0.82 GLRA3 (0.49) GLRA3GLRBLDHALDHBALDH1A1
SCHEMBL9342070 0.81 GLRA3 (0.75) GLRA3GLRBLDHALDHBPTGS1
Water SCHEMBL9343037 0.81 GLRA3 (0.47) GLRA3GLRBLDHALDHBALDH1A1

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