SCHEMBL8769748

SCHEMBL8769748

CC(C)(C)CC(C)(C)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.57
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MDH1 P40925 11/20 0.40
MDH2 P40926 11/20 0.40
POLB P06746 1/20 0.40
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
MAPT P10636 1/20 0.37
DRD1 P21728 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL448814 0.82 SHBG (0.59) SHBGCYP3A4SMN1; SMN2POLBALDH1A1
SCHEMBL11615735 0.82 NPC1 (0.45) SMN1; SMN2POLBALDH1A1HDAC1MEN1
SCHEMBL446031 0.79 SHBG (0.55) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL27932707 0.78 SHBG (0.53) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL20878570 0.78 SHBG (0.53) SHBGCYP3A4SMN1; SMN2POLBALDH1A1
SCHEMBL7718602 0.77 ESR1 (0.48) CYP3A4SMN1; SMN2POLBHIF1AALDH1A1
SCHEMBL38841 0.77 HDAC1 (0.59) SMN1; SMN2POLBHIF1AALDH1A1HDAC1
SCHEMBL9457427 0.77 CYP3A4 (0.54) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL27704404 0.75 ALDH1A1 (0.42) SMN1; SMN2POLBHIF1AALDH1A1HDAC1
SCHEMBL1021439 0.75 LMNA (0.42) SMN1; SMN2POLBALDH1A1HDAC1MEN1

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
EP-0659738-B1 N-(Carbonyl, carbonimidoyl, carbonothioyl) sulfonamide charge control agents and toners and developers EASTMAN KODAK CO (US) 1997-09-10 EP disclosed
US-5616797-A USED IN ELECTROPHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1997-04-01 US disclosed
EP-0659738-A1 N-(Carbonyl, carbonimidoyl, carbonothioyl) sulfonamide charge control agents and toners and developers EASTMAN KODAK COMPANY (US) 1995-06-28 EP disclosed
US-5405727-A Electrophotography EASTMAN KODAK COMPANY (US) 1995-04-11 US disclosed