SCHEMBL9618339

SCHEMBL9618339

O=C(O)CCCCCCCCCCCCC(=O)ONC(=O)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
LMNA P02545 3/20 0.48
NFKB1 P19838 2/20 0.48
PMP22 Q01453 1/20 0.48
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
KDM5C P41229 2/20 0.45
PHF8 Q9UPP1 2/20 0.45
KDM2A Q9Y2K7 2/20 0.45
MEN1 O00255 2/20 0.45
ALOX15 P16050 2/20 0.45
KMT2A Q03164 2/20 0.45
PLG P00747 1/20 0.45
THRB P10828 1/20 0.45
SLC6A2 P23975 1/20 0.45
RECQL P46063 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GPR84 Q9NQS5 4/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41

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
SCHEMBL28090046 0.89 TSHR (0.44) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL8362365 0.85 GPR84 (0.59) TSHRLMNAALDH1A1MEN1ALOX15
SCHEMBL8341881 0.84 GPR84 (0.57) TSHRLMNAALDH1A1MEN1ALOX15
SCHEMBL15650442 0.84 GPR84 (0.57) TSHRALDH1A1MEN1ALOX15KMT2A
SCHEMBL8336748 0.84 GPR84 (0.57) TSHRLMNAALDH1A1MEN1ALOX15
SCHEMBL15649652 0.84 GPR84 (0.57) TSHRALDH1A1MEN1ALOX15KMT2A
SCHEMBL22151180 0.82 GPR84 (0.53) TSHRALDH1A1MEN1ALOX15KMT2A
SCHEMBL27524961 0.82 HDAC3 (0.34) TSHRLMNAALDH1A1KDM4EMEN1
SCHEMBL27645896 0.79 TSHR (0.36) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL8423003 0.76 HSP90AA1 (0.55) LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4325088-A None JP disclosed
JP-H04325088-A PROTEIN DERIVATIVE AND PRODUCTION THEREOF KURARAY CO LTD 1992-11-13 JP disclosed