SCHEMBL8927280

SCHEMBL8927280

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
CA2 P00918 3/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
TYR P14679 1/20 0.53
HSPA5 P11021 1/20 0.45
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
HIF1A Q16665 3/20 0.44
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
CA1 P00915 2/20 0.37
CYP1A2 P05177 1/20 0.37
TP53 P04637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL4625131 0.83 CA2 (0.49) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL466169 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4390429 0.81 SMN1; SMN2 (0.59) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4391912 0.80 SMN1; SMN2 (0.57) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4388465 0.80 SMN1; SMN2 (0.57) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL10783438 0.80 ALDH1A1 (0.45) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL8377622 0.79 ALDH1A1 (0.43) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4401172 0.77 SMN1; SMN2 (0.53) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL17438141 0.77 SMN1; SMN2 (0.68) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL7184851 0.77 SMN1; SMN2 (0.82) SMN1; SMN2CA2ALDH1A1POLBTYR

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
US-5681689-A COUPLING WITH OXIDIZED COLOR DEVELOPER EASTMAN KODAK COMPANY (US) 1997-10-28 US disclosed
EP-0144477-B1 METHOD FOR PRODUCING BISPHENOL DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-03-18 EP disclosed
US-4562281-A Production of bisphenol derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 US disclosed
EP-0144477-A1 Method for producing bisphenol derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-06-19 EP disclosed