SCHEMBL8323570

SCHEMBL8323570

CC(C)(C)Oc1ccccc1[S+]([O-])c1ccccc1OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HSD11B1 P28845 1/20 0.30
HSD17B3 P37058 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20328481 0.89 KCNH2 (0.31) KCNH2
SCHEMBL5543283 0.79 GAA (0.35) HSD11B1
SCHEMBL28818580 0.77 ELANE (0.41) CYP1A2CYP2D6CYP2C19
SCHEMBL29428931 0.77 CA1 (0.45) KCNH2CA12CA1CA2CA4
SCHEMBL3820431 0.77 CA1 (0.45) KCNH2CA12CA1CA2CA4
SCHEMBL3139825 0.76 CA1 (0.55) CA12CA1CA2CA4CA7
SCHEMBL8323617 0.75 KIF11 (0.37)
SCHEMBL6933536 0.73 ALDH1A1 (0.46) KCNH2CA12CA1CA2CA4
SCHEMBL7112091 0.71 ALDH1A1 (0.50) CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL12355661 0.70 CA12 (0.39) KCNH2CA12CA1CA2CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed
US-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed