SCHEMBL9044862

SCHEMBL9044862

CCOC(=O)c1c(C)n[nH]c1SCCC=C(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.51
KDM4E B2RXH2 7/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 6/20 0.34
ALDH1A1 P00352 6/20 0.34
HPGD P15428 4/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
FHIT P49789 1/20 0.32
MAPK10 P53779 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL9046330 0.84 PDE4D (0.33) PDE4D
SCHEMBL9044878 0.82 HPGDS (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL7020400 0.75 ALDH1A1 (0.42) PDE4DKDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL8466166 0.70 CYP1A2 (0.39) KDM4EMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL9044890 0.70 KDM4E (0.36) PDE4DKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL353564 0.70 PDE4D (1.00) PDE4DKDM4EMAPTPOLBKMT2A
SCHEMBL8466902 0.68 GAA (0.38) KDM4EPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7019281 0.68 RAB9A (0.49) KDM4EMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL21130898 0.67 PDE4D (0.73) PDE4DKDM4EMAPTPOLBKMT2A
SCHEMBL7519069 0.67 PDE4D (0.73) PDE4DKDM4EMAPTPOLBKMT2A

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-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed