SCHEMBL6989989

SCHEMBL6989989

O=C(/C=C/C(=O)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.72
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
ATM Q13315 3/20 0.58
ALDH1A1 P00352 2/20 0.58
PKM P14618 2/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 2/20 0.58
NLRP1 Q9C000 1/20 0.58
NTSR1 P30989 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 2/20 0.57
MAOA P21397 3/20 0.56

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
SCHEMBL6989990 1.00 TNFRSF1A (0.72) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL6942827 0.91 ALDH1A1 (0.67) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL6942832 0.91 ALDH1A1 (0.67) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL28024599 0.88 TNFRSF1A (0.64) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL6451968 0.88 TNFRSF1A (0.64) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL9798239 0.86 TNFRSF1A (0.62) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL9798236 0.86 TNFRSF1A (0.62) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL20273264 0.86 TNFRSF1A (0.62) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL956091 0.86 CYP1A2 (0.63) TNFRSF1ACYP1A2CYP2C19CES2CES1
SCHEMBL956092 0.86 CYP1A2 (0.63) TNFRSF1ACYP1A2CYP2C19CES2CES1

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
EP-1740640-B1 DIBENZODIAZOCINE POLYMERS SOLVAY SPECIALTY POLYMERS USA L L C (US) 2012-06-13 EP disclosed
US-7238771-B2 Dibenzodiazocine polymers SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2007-07-03 US disclosed
US-7238771-B2 Dibenzodiazocine polymers SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2007-07-03 US disclosed
EP-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed