SCHEMBL7781053

SCHEMBL7781053

CC(C)(C)c1cc(C(C)(C)C)c(-c2ccccc2)c(C(=O)O)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.66
GLRB P48167 1/20 0.66
TNFRSF1A P19438 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 2/20 0.40
PDE10A Q9Y233 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL2791325 0.80 GLRA3 (1.00) GLRA3GLRBTNFRSF1AALOX5PTGS1
SCHEMBL2789477 0.78 GLRA3 (0.57) GLRA3GLRBTNFRSF1AALOX5PTGS1
SCHEMBL19195723 0.77 GLRA3 (0.66) GLRA3GLRBTNFRSF1AALOX5PTGS1
SCHEMBL9345896 0.77 GLRA3 (0.60) GLRA3GLRBTNFRSF1AALOX5PTGS1
SCHEMBL9325873 0.76 GLRA3 (0.64) GLRA3GLRBTNFRSF1AALOX5PTGS1
SCHEMBL9248044 0.75 GLRA3 (0.53) GLRA3GLRBCA2GAAMEN1
SCHEMBL11876688 0.75 GLRA3 (0.45) GLRA3GLRBTNFRSF1ACA2CA1
SCHEMBL30272446 0.75 GLRA3 (0.45) GLRA3GLRBTNFRSF1ACA2CA1
SCHEMBL11757013 0.75 GLRA3 (0.61) GLRA3GLRBCA2CA1MEN1
SCHEMBL7780129 0.74 GLRA3 (0.78) GLRA3GLRBALOX5PTGS1PTGS2

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
EP-0885745-B1 Thermosensitive recording sheet set for preservation temperature control and method of using the sheet set OJI PAPER CO (JP) 2001-09-19 EP disclosed
US-5994262-A MULTILAYER; RECORDING SHEET CONTAINING ZINC SALT OF A SALICYLIC ACID; ADHESIVE LAYER CONTAINING A LEUCO DYE AND AN ESTER; TEMPERATURE CONTROL OJI PAPER CO., LTD. (JP) 1999-11-30 US disclosed
EP-0885745-A1 Thermosensitive recording sheet set for preservation temperature control and method of using the sheet set Oji Paper Co., Ltd. (JP) 1998-12-23 EP disclosed