SCHEMBL9006745

SCHEMBL9006745

C/C(=C\c1ccc(C#N)cc1)c1ccc(OC(F)=C(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 3/20 0.40
FBP1 P09467 3/20 0.40
MAPT P10636 2/20 0.40
NQO2 P16083 5/20 0.39
PTGS1 P23219 4/20 0.38
PTGS2 P35354 3/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL9006528 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1FBP1MAPT
SCHEMBL9006537 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1FBP1MAPT
SCHEMBL9006748 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1FBP1MAPT
SCHEMBL8935004 0.89 ESR1 (0.52) ESR1ESR2ALDH1A1MAPTNQO2
SCHEMBL8935002 0.89 ESR1 (0.52) ESR1ESR2ALDH1A1MAPTNQO2
SCHEMBL9006522 0.83 NQO2 (0.58) ESR1ESR2ALDH1A1MAPTNQO2
SCHEMBL9006527 0.83 NQO2 (0.58) ESR1ESR2ALDH1A1MAPTNQO2
SCHEMBL9006497 0.83 ESR1 (0.64) ESR1ESR2NQO2PTGS1PTGS2
SCHEMBL9006649 0.83 PTGS1 (0.48) ESR1ESR2ALDH1A1MAPTNQO2
SCHEMBL9006643 0.83 PTGS1 (0.48) ESR1ESR2ALDH1A1MAPTNQO2

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-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US claimed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US claimed
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US disclosed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US disclosed