SCHEMBL8398293

SCHEMBL8398293

N#COc1ccc(C=Cc2ccc(OC#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
ESR1 P03372 2/20 0.40
PTGS2 P35354 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
AHR P35869 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL8398290 1.00 RELA (0.41) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL8015612 0.91 TRPA1 (0.55) RELATRPA1CYP1A2CYP19A1NFE2L2
SCHEMBL22245425 0.89 CYP1A1 (0.52) CYP1A2CYP1A1CYP1B1ESR1PTGS2
SCHEMBL22245413 0.89 CYP1A1 (0.52) CYP1A2CYP1A1CYP1B1ESR1PTGS2
SCHEMBL8394059 0.87 KDM4E (0.57) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL22245432 0.84 RELA (0.56) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL22245433 0.84 RELA (0.56) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL24787 0.84 CA1 (0.32) CYP1A2KDM4ECYP3A4HPGDTSHR
SCHEMBL29091928 0.83 ALDH1A1 (0.48) TRPA1ALOX5KDM4ECYP3A4LMNA
SCHEMBL8394015 0.81 ALDH1A1 (0.50) TRPA1CYP1A2KDM4ECYP3A4HPGD

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
US-10723834-B1 Low melting and low viscosity thermoset matrix resins from the Z configuration of polyhydroxy stilbenes THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2020-07-28 US claimed
EP-0409069-B1 Mesogenic polycyanates and polycyanamides and thermosets thereof DOW CHEMICAL CO (US) 1999-06-02 EP claimed
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 claimed
US-5428125-A Liquid crystalline THE DOW CHEMICAL COMPANY (US) 1995-06-27 US claimed
EP-0409069-A2 Mesogenic polycyanates and thermosets thereof THE DOW CHEMICAL COMPANY (US) 1991-01-23 EP claimed
JP-3148250-A None JP disclosed
US-11118002-B1 Low melting and low viscosity thermoset matrix resins from the Z configuration of polyhydroxy stilbenes THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2021-09-14 US disclosed
US-10723834-B1 Low melting and low viscosity thermoset matrix resins from the Z configuration of polyhydroxy stilbenes THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2020-07-28 US disclosed
EP-0409069-B1 Mesogenic polycyanates and polycyanamides and thermosets thereof DOW CHEMICAL CO (US) 1999-06-02 EP 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
JP-H03148250-A MESOGENIC POLYCYANATE DOW CHEM CO:THE 1991-06-25 JP disclosed
EP-0409069-A2 Mesogenic polycyanates and thermosets thereof THE DOW CHEMICAL COMPANY (US) 1991-01-23 EP disclosed