SCHEMBL7992874

SCHEMBL7992874

CC(=O)/C(=C\c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.70
MAPT P10636 6/20 0.59
HPGD P15428 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 4/20 0.59
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.59
AKR1C3 P42330 3/20 0.55
AKR1C2 P52895 2/20 0.54
NPSR1 Q6W5P4 4/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
PLA2G1B P04054 1/20 0.54
CYP1A2 P05177 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54

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
SCHEMBL5183481 1.00 AKR1C1 (0.70) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6172379 1.00 AKR1C1 (0.70) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6168727 0.89 AKR1C1 (0.56) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6168722 0.89 AKR1C1 (0.56) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6169411 0.87 ALDH1A1 (0.55) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL11079768 0.87 HTT (0.55) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6170117 0.87 MEN1 (0.62) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL5253681 0.87 AKR1C1 (0.55) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6170114 0.87 MEN1 (0.62) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL5253679 0.87 AKR1C1 (0.55) AKR1C1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975224-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 2000-02-02 EP disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
WO-1998033385-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 1998-08-06 WO disclosed