SCHEMBL8655673

SCHEMBL8655673

C[C@@H](Cc1ccc(CCCC(=O)O)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
ESR1 P03372 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL11235575 0.83 ACACB (0.58) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL9099482 0.82 ESR1 (0.55) ESR1KCNH2SMN1; SMN2HDAC3MAPK1
SCHEMBL4462033 0.81 NPC1 (0.67) ESR1KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL8420771 0.81 NPC1 (0.67) ESR1KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL6679690 0.81 NPC1 (0.67) ESR1KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL11235453 0.80 HSD17B10 (0.54) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL13311943 0.80 HSD17B10 (0.54) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL3391414 0.80 HSD17B10 (0.54) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL8986819 0.80 ESR1 (0.54) ESR1KCNH2NPC1RAB9AACACB
SCHEMBL8986825 0.80 ESR1 (0.54) ESR1KCNH2NPC1RAB9AACACB

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-0574782-B1 Dual analyte immunoassay HOFFMANN LA ROCHE (CH) 1998-10-21 EP disclosed
EP-0574782-A2 Dual analyte immunoassay F. HOFFMANN-LA ROCHE AG (CH) 1993-12-22 EP disclosed