SCHEMBL10698767

SCHEMBL10698767

CCCCCCCCOc1nc(Cl)c(OCc2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.49
TLR7 Q9NYK1 9/20 0.41
CNR1 P21554 1/20 0.38
PIN1 Q13526 1/20 0.38
PTPN1 P18031 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
BCHE P06276 2/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL26617284 0.74 SOAT1 (0.47) SOAT1TLR7BCHEGPR84
SCHEMBL27615672 0.71 SOAT1 (0.55) SOAT1TLR7PTPN1
SCHEMBL19127807 0.68 L3MBTL1 (0.43) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL15923575 0.68 LTA4H (0.66)
SCHEMBL12745448 0.68 HTR1A (0.59)
SCHEMBL27974031 0.68 LTA4H (0.66)
SCHEMBL28023475 0.67 PDE5A (0.59)
SCHEMBL25384494 0.66 NR5A1 (0.47) SOAT1
SCHEMBL11009919 0.66 NR5A1 (0.47) SOAT1
SCHEMBL11587263 0.66 NR5A1 (0.47) SOAT1

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-0260077-A1 Phenyl pyrimidine compound and liquid crystalline composition AJINOMOTO CO., INC. (JP) 1988-03-16 EP disclosed