SCHEMBL9576451

SCHEMBL9576451

CC(C)NC(=O)C=Cc1ccc(OC(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.56
TAS1R1 Q7RTX1 6/20 0.56
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RECQL P46063 2/20 0.51
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL9576445 1.00 TAS1R3 (0.56) TAS1R3TAS1R1NPC1SMN1; SMN2MEN1
SCHEMBL15121093 0.83 TAS1R3 (0.78) TAS1R3TAS1R1SMN1; SMN2RECQLPTGS1
SCHEMBL9576116 0.80 MEN1 (0.77) TAS1R3TAS1R1SMN1; SMN2MEN1KMT2A
SCHEMBL9576118 0.80 MEN1 (0.77) TAS1R3TAS1R1SMN1; SMN2MEN1KMT2A
SCHEMBL31528757 0.79 ALDH1A1 (0.57) NPC1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL11443825 0.79 F3 (0.59) NPC1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL11443826 0.79 F3 (0.59) NPC1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL10696973 0.78 TAS1R3 (0.55) TAS1R3TAS1R1SMN1; SMN2MEN1KMT2A
SCHEMBL9576410 0.78 TAS1R3 (0.55) TAS1R3TAS1R1SMN1; SMN2MEN1KMT2A
SCHEMBL1569059 0.78 THRB (0.61) NPC1SMN1; SMN2LMNAHDAC3HDAC1

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-0274546-A1 New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds AMERICAN CYANAMID COMPANY (US) 1988-07-20 EP claimed
EP-0568731-A1 Methods and compositions containing pesticides and stilbene compounds for enhanced pesticidal activity AMERICAN CYANAMID COMPANY (US) 1993-11-10 EP disclosed
EP-0274546-A1 New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds AMERICAN CYANAMID COMPANY (US) 1988-07-20 EP disclosed