SCHEMBL8396862

SCHEMBL8396862

CC(=Cc1cc(Br)cc(Br)c1)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ PTGS1 P23219 11/20 0.42
▸ PTGS2 P35354 6/20 0.42
▸ NQO2 P16083 5/20 0.42
▸ ALOX5 P09917 1/20 0.40
▸ TTR P02766 1/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL8396860 1.00 CYP3A4 (0.46) CYP3A4TSHRTDP1PTGS1PTGS2
SCHEMBL8827308 0.90 PTGS1 (0.46) CYP3A4TSHRTDP1PTGS1PTGS2
SCHEMBL8827302 0.90 PTGS1 (0.46) CYP3A4TSHRTDP1PTGS1PTGS2
SCHEMBL9343168 0.86 PTGS1 (0.44) PTGS1PTGS2NQO2ALOX5ESR1
SCHEMBL9343170 0.86 PTGS1 (0.44) PTGS1PTGS2NQO2ALOX5ESR1
SCHEMBL8827032 0.73 PTGS1 (0.40) PTGS1PTGS2NQO2ALOX5ESR1
SCHEMBL8827370 0.73 GSK3B (0.41) PTGS1PTGS2NQO2ALOX5ESR1
SCHEMBL8827023 0.73 PTGS1 (0.40) PTGS1PTGS2NQO2ALOX5ESR1
SCHEMBL8827373 0.73 GSK3B (0.41) PTGS1PTGS2NQO2ALOX5ESR1
SCHEMBL31185735 0.71 TRPA1 (0.63) CYP3A4TSHRTDP1TTRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409069-B1 Mesogenic polycyanates and polycyanamides and thermosets thereof DOW CHEMICAL CO (US) 1999-06-02 — — EP disclosed
EP-0409070-B1 Mesogenic cyanite functional maleimides and thermosets thereof DOW CHEMICAL CO (US) 1999-03-03 — — EP disclosed
US-5612479-A Polyphenols containing mesogenic moieties as lateral substituents THE DOW CHEMICAL COMPANY (US) 1997-03-18 — — US disclosed
US-5470946-A Products resulting from polymerizing or curing polycyanates containing mesogenic moieties as lateral substituents THE DOW CHEMICAL COMPANY (US) 1995-11-28 — — US disclosed
US-5442039-A Rod-like mesogenic structures incorporated into polytriazine products; improved tensile strength, flexural strength THE DOW CHEMICAL COMPANY (US) 1995-08-15 — — US disclosed
US-5428125-A Liquid crystalline THE DOW CHEMICAL COMPANY (US) 1995-06-27 — — US disclosed
US-5374769-A Polycyanates containing mesogenic moieties as lateral substituents THE DOW CHEMICAL COMPANY (US) 1994-12-20 — — US disclosed
US-5248758-A Curable composition THE DOW CHEMICAL COMPANY (US) 1993-09-28 — — US disclosed
US-5248757-A Curable composition THE DOW CHEMICAL COMPANY (US) 1993-09-28 — — US disclosed
US-5206321-A Polycyanates containing mesogenic moieties as lateral substituents THE DOW CHEMICAL COMPANY (US) 1993-04-27 — — US disclosed
US-5077380-A Mesogenic cyanate functional maleimides and thermosets thereof THE DOW CHEMICAL COMPANY (US) 1991-12-31 — — US disclosed
EP-0409069-A2 Mesogenic polycyanates and thermosets thereof THE DOW CHEMICAL COMPANY (US) 1991-01-23 — — EP disclosed
EP-0409070-A2 Mesogenic cyanite functional maleimides and thermosets thereof THE DOW CHEMICAL COMPANY (US) 1991-01-23 — — EP disclosed
Send feedback