SCHEMBL8633746

SCHEMBL8633746

CCc1cc(C)c(Br)c(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HSPA5 P11021 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SHBG P04278 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL456782 0.85 GABRA1 (0.52) GABRA1GABRB2HSPA5SIGMAR1MEN1
SCHEMBL8630814 0.85 PTGS2 (0.36) GABRA1GABRB2HSPA5MEN1KMT2A
SCHEMBL3593411 0.79 GABRA1 (0.41) GABRA1GABRB2HSPA5MEN1KMT2A
SCHEMBL20804437 0.76 PTGS2 (0.30) PTGS2RAPGEF4
SCHEMBL31092543 0.73 SHBG (0.55) GABRA1GABRB2HSPA5MEN1GAA
SCHEMBL1022721 0.73 SHBG (0.55) GABRA1GABRB2HSPA5MEN1GAA
SCHEMBL9853387 0.73 ALDH1A1 (0.50) HSPA5MEN1GAAKMT2ANOS3
SCHEMBL8631935 0.73 HSPA5 (0.33) HSPA5MEN1GAAKMT2ANOS3
SCHEMBL2494357 0.73 GABRA1 (0.39) GABRA1GABRB2NOS3NOS1NOS2
SCHEMBL2228767 0.72 HSPA5 (0.39) HSPA5MEN1GAAKMT2ANOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101238173-A Flame retarded styrenic foams and foam precursors ALBEMARLE CORP (US) 2008-08-06 CN disclosed
EP-0718291-B1 Method for the preparation of triazole compounds CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-07-08 EP disclosed
US-5567825-A Method for the preparation of a triazole compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-10-22 US disclosed
EP-0718291-A1 Method for the preparation of triazole compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-06-26 EP disclosed
US-4759915-A Solvent extraction using solvent containing mixture of trialkyl amines with triisooctyl amine and alkyl benzene; stripping with ammonium hydroxide, and separation GTE PRODUCTS CORPORATION (US) 1988-07-26 US disclosed