SCHEMBL7101807

SCHEMBL7101807

CC(=O)C(c1ccc(OCc2ccccc2)cc1)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MAOB P27338 2/20 0.52
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 1/20 0.49
ACACB O00763 2/20 0.48
FFAR1 O14842 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL10422181 0.88 SMN1; SMN2 (0.53) ALOX5HDAC6KDM4EKMT2ASMN1; SMN2
SCHEMBL7097990 0.82 FFAR1 (0.53) ALOX5HDAC6MAOBFFAR1
SCHEMBL7097988 0.81 NPC1 (0.52) KDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL26838881 0.80 ALOX5 (0.84) ALOX5HDAC6
SCHEMBL7103544 0.80 SLC6A2 (0.62) KMT2A
SCHEMBL10523298 0.80 FOXM1 (0.50) ALOX5HDAC6MAOBKDM4EKMT2A
SCHEMBL9809565 0.79 CHRM3 (0.61) KMT2A
SCHEMBL7102376 0.79 ALOX5 (0.45) ALOX5HDAC6MAOBACACBFFAR1
SCHEMBL15980971 0.78 SPHK2 (0.51) MAOBRAB9ACHRNB2CHRNA5CHRNA7
SCHEMBL28045714 0.75 MAOB (0.60) ALOX5HDAC6MAOBACACBFFAR1

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
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed