SCHEMBL10699343

SCHEMBL10699343

CC(C)NC(=O)C=Cc1ccc(O)cc1.CCS(=O)(=O)O

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
PTGS2 P35354 1/20 0.50
GLO1 Q04760 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
MMP1 P03956 3/20 0.49
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL10699332 1.00 MAOB (0.50) MAOBAKR1B10AKR1B1PTGS2GLO1
SCHEMBL10696978 0.93 MMP2 (0.53) MAOBAKR1B10AKR1B1PTGS2GLO1
SCHEMBL10696967 0.93 MMP2 (0.53) MAOBAKR1B10AKR1B1PTGS2GLO1
SCHEMBL702346 0.79 TAS1R3 (0.71) MAOBAKR1B10AKR1B1PTGS2GLO1
SCHEMBL702347 0.79 TAS1R3 (0.71) MAOBAKR1B10AKR1B1PTGS2GLO1
SCHEMBL10699339 0.78 TAS1R3 (0.55) PTGS2LMNAHPGDHDAC3HDAC1
SCHEMBL9576093 0.78 TAS1R3 (0.55) PTGS2LMNAHPGDHDAC3HDAC1
SCHEMBL1559044 0.76 SMN1; SMN2 (0.71) MAOBAKR1B10AKR1B1PTGS2GLO1
SCHEMBL31440320 0.76 SMN1; SMN2 (0.71) MAOBAKR1B10AKR1B1PTGS2GLO1
SCHEMBL1557401 0.76 SMN1; SMN2 (0.71) MAOBAKR1B10AKR1B1PTGS2GLO1

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
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-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