SCHEMBL8668280

SCHEMBL8668280

CC(=O)C1CC(C(=O)O)NC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 3/20 0.41
LMNA P02545 2/20 0.41
BLM P54132 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNA7 P36544 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL2804427 0.88 CYP2D6 (0.45) CYP2C19HSD17B10CYP2D6LMNABLM
SCHEMBL7433120 0.83 POLB (0.45) CYP2C19HSD17B10CYP2D6LMNAMEN1
SCHEMBL8668373 0.83 LMNA (0.40) CYP2C19HSD17B10CYP2D6LMNABLM
SCHEMBL7433122 0.83 POLB (0.45) CYP2C19HSD17B10CYP2D6LMNAMEN1
SCHEMBL7433127 0.83 POLB (0.45) CYP2C19HSD17B10CYP2D6LMNAMEN1
SCHEMBL20835887 0.80 CYP2C19 (0.50) CYP2C19HSD17B10CYP2D6LMNABLM
SCHEMBL8899635 0.80 RECQL (0.40) CYP2C19HSD17B10CYP2D6LMNABLM
SCHEMBL10469586 0.78 MEN1 (0.58) CYP2C19HSD17B10CYP2D6LMNABLM
SCHEMBL21436384 0.76 SIGMAR1 (0.34) CYP2C19HSD17B10CYP2D6MEN1KMT2A
SCHEMBL8954369 0.75 HSD17B10 (0.46) CYP2C19HSD17B10CYP2D6LMNAMEN1

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
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 US disclosed