SCHEMBL8827032

SCHEMBL8827032

CC(=Cc1cc(Br)c(S)c(Br)c1)c1cc(Br)c(S)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 13/20 0.40
▸ PTGS2 P35354 7/20 0.40
▸ NQO2 P16083 6/20 0.40
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ TUBB1 Q9H4B7 3/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 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
SCHEMBL8827023 1.00 PTGS1 (0.40) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8827302 0.82 PTGS1 (0.46) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8827308 0.82 PTGS1 (0.46) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8827373 0.80 GSK3B (0.41) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8827370 0.80 GSK3B (0.41) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8827313 0.76 RARG (0.39) PTGS1PTGS2NQO2MAPTHPGD
SCHEMBL8827305 0.76 RARG (0.39) PTGS1PTGS2NQO2MAPTHPGD
SCHEMBL8396860 0.73 CYP3A4 (0.46) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8396862 0.73 CYP3A4 (0.46) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL9343170 0.72 PTGS1 (0.44) PTGS1PTGS2NQO2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602211-A CURING AGENTS THE DOW CHEMICAL COMPANY (US) 1997-02-11 — — US disclosed
US-5414121-A Adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1995-05-09 — — US disclosed
US-5342904-A Polymer modified adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1994-08-30 — — US disclosed
US-5276184-A Curing agents for epoxy resins for thermosetting resins THE DOW CHEMICAL COMPANY (US) 1994-01-04 — — US disclosed
US-5235008-A Curable THE DOW CHEMICAL COMPANY (US) 1993-08-10 — — US disclosed
EP-0478918-A2 Adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1992-04-08 — — EP disclosed
EP-0469492-A2 Polymer modified adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1992-02-05 — — EP disclosed
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