SCHEMBL10698511

SCHEMBL10698511

CC(C)NC(=O)/C=C/c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 1/20 0.51
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 2/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
NFE2L2 Q16236 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP1B1 Q16678 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
SCHEMBL17219775 0.82 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AGAALMNAHPGD
SCHEMBL31482410 0.81 NFE2L2 (0.56) SMN1; SMN2RAB9ALMNAALDH1A1MAOB
SCHEMBL701638 0.81 TAS1R3 (0.60) SMN1; SMN2RAB9ALMNAHPGDMAOB
SCHEMBL701639 0.81 TAS1R3 (0.60) SMN1; SMN2RAB9ALMNAHPGDMAOB
SCHEMBL1711462 0.81 NOS3 (0.57) SMN1; SMN2RAB9A
SCHEMBL1711460 0.81 NOS3 (0.57) SMN1; SMN2RAB9A
SCHEMBL25761086 0.80 MEN1 (0.44) RAB9ALMNAHPGDMEN1KMT2A
SCHEMBL14244763 0.80 HDAC8 (0.64) SMN1; SMN2RAB9AMAOBNPC1MAPT
SCHEMBL12425754 0.80 HDAC8 (0.64) SMN1; SMN2RAB9AMAOBNPC1MAPT
SCHEMBL24449994 0.79 HDAC3 (0.52) SMN1; SMN2RAB9AGAALMNAHPGD

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 1 patent. 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 disclosed