SCHEMBL19417841

SCHEMBL19417841

C=C(C)c1ccc(C(C)C)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38

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
SCHEMBL16955903 0.85 RAB9A (0.43) RAB9AMEN1KMT2APOLBMAPT
SCHEMBL12270174 0.82 LMNA (0.52) RAB9AMEN1KMT2APOLBMAPT
SCHEMBL16954256 0.81 RAB9A (0.38) RAB9AMEN1KMT2APDE4APDE4B
SCHEMBL16953515 0.81 RAB9A (0.40) RAB9AMEN1KMT2APOLBMAPT
SCHEMBL8296526 0.79 CYP2C9 (0.61) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL31556000 0.79 CA12 (0.65) RAB9AMEN1KMT2ATSHRCA1
SCHEMBL13889423 0.79 CA12 (0.65) RAB9AMEN1KMT2ATSHRCA1
SCHEMBL13895732 0.77 MAPK1 (0.59) RAB9AMEN1KMT2APDE4APDE4B
SCHEMBL30842512 0.77 MAPT (0.58) RAB9AMEN1KMT2AMAPTTSHR
SCHEMBL18212635 0.77 MAPT (0.58) RAB9AMEN1KMT2AMAPTTSHR

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-3097097-B1 IMIDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2017-10-04 EP disclosed