SCHEMBL9732807

SCHEMBL9732807

COC1(N)C=CC(C(=O)c2ccccc2)C(O)=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
HTT P42858 3/20 0.33
EPHX1 P07099 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CES1 P23141 2/20 0.33
SRC P12931 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
PDE4A P27815 1/20 0.32
HRH1 P35367 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE4D Q08499 1/20 0.32
ALOX15 P16050 3/20 0.31

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
SCHEMBL3120601 0.83 TSHR (0.36) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL344146 0.83 HTT (0.38) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL8172322 0.82 TSHR (0.35) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL7855173 0.81 TSHR (0.34) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL180232 0.81 TSHR (0.34) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL10583727 0.78 TSHR (0.39) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL8166850 0.77 TSHR (0.32) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL10823202 0.76 ALDH1A1 (0.33) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL158108 0.76 HTT (0.36) TSHRHTTEPHX1SMN1; SMN2CES1
SCHEMBL9461488 0.74 MAPT (0.35) TSHRHTTSMN1; SMN2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098445-A Halotriazine reactive compounds for bonding with polymers for radiation resistance CIBA-GEIGY CORPORATION (US) 1992-03-24 US disclosed
US-4929250-A HALOTRIAZINE DERIVATIVES, QUARTERINARY AMMONIUM SALTS CIBA-GEIGY CORPORATION (US) 1990-05-29 US disclosed