SCHEMBL7200072

SCHEMBL7200072

Cc1cc(C(C)(C)C)c(O)c(S(=O)(=O)c2cc(C)cc(C(C)(C)C)c2O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
CA2 P00918 3/20 0.65
ALDH1A1 P00352 2/20 0.65
POLB P06746 1/20 0.65
TYR P14679 1/20 0.65
HSPA5 P11021 1/20 0.53
CYP2C9 P11712 4/20 0.52
CYP2C19 P33261 3/20 0.52
HIF1A Q16665 2/20 0.52
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 2/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 2/20 0.44
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
MEN1 O00255 1/20 0.40

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
SCHEMBL4896805 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4892378 0.85 ALDH1A1 (0.61) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL453824 0.80 SMN1; SMN2 (1.00) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL3950 0.80 SMN1; SMN2 (1.00) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL3858830 0.80 SMN1; SMN2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL11859223 0.78 SMN1; SMN2 (0.95) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL7075597 0.78 SMN1; SMN2 (0.95) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL11857289 0.78 SMN1; SMN2 (0.95) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL20660368 0.78 SMN1; SMN2 (0.95) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL864242 0.78 SMN1; SMN2 (0.95) 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-6603035-B1 A method for producing a high purity cyanate comprising reacting a phenol compound represented by the following formula SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-05 US disclosed
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed
US-4113488-A PHENOLIC COMPOUND AND SYNERGISTIC SULFIDE OR SULFOXIDE FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 US disclosed