SCHEMBL11095438

SCHEMBL11095438

CC(C)(c1cc(Cl)c(C#N)c(Cl)c1)c1cc(Cl)c(C#N)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL12724946 0.86 AR (0.40) ARGABRPGABRDGABRA1GABRB1
SCHEMBL4741271 0.77 GABRB3 (0.47) ARGABRPGABRDGABRA1GABRB1
SCHEMBL12724943 0.77 POLB (0.39) ARALDH1A1CYP3A4HPGDMAPT
SCHEMBL6416771 0.73 ALDH1A1 (0.38) GABRA1GABRG2GABRB3GABRB2ALDH1A1
SCHEMBL30208776 0.73 ALOX15 (0.52) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL830568 0.72 AR (0.33) ARALDH1A1
SCHEMBL952362 0.72 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDMAPTMAPK1
SCHEMBL11986045 0.70 TSHR (0.37) ARALDH1A1CYP3A4HPGDMAPK1
SCHEMBL15850516 0.70 VCAM1 (0.40) ARALDH1A1CYP3A4HPGDMAPT
SCHEMBL941446 0.69 CYP3A4 (0.50) ALDH1A1CYP3A4HPGDALOX15TSHR

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-4469859-A ADHESIVES, COATINGS, MOLDING AND CONSTRUCTION MATERIALS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-09-04 US claimed
US-4396745-A POLYFUNCTIONAL AROMATIC CYANATE, RUBBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-08-02 US claimed
CN-112955302-B Method for manufacturing a laminate with partial curing 斯特拉塔西斯公司 2023-05-02 CN disclosed
CN-112930257-B Three-dimensional inkjet printing of thermally stable objects 斯特拉塔西斯公司 2023-03-24 CN disclosed