SCHEMBL7744146

SCHEMBL7744146

C=C(CCCC(C)C)CC(C)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ACE2 Q9BYF1 1/20 0.38
PTPN1 P18031 2/20 0.36
OPRM1 P35372 1/20 0.34
CA1 P00915 2/20 0.33
NFKB1 P19838 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
BLM P54132 1/20 0.32
GPR84 Q9NQS5 4/20 0.32

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
SCHEMBL7743672 0.89 ACE2 (0.44) LMNAACE2OPRM1SPHK1MEN1
SCHEMBL7743761 0.89 ACE2 (0.44) LMNAACE2OPRM1SPHK1MEN1
SCHEMBL7744228 0.85 ACE2 (0.40) LMNAACE2PTPN1MEN1ALOX15
SCHEMBL7744252 0.81 ACE2 (0.38) LMNAACE2OPRM1CA1SPHK1
SCHEMBL7743773 0.81 TSHR (0.38) LMNAACE2PTPN1MEN1ALOX15
SCHEMBL31166041 0.81 AKR1B1 (0.53) LMNAPTPN1MEN1ALOX15KMT2A
SCHEMBL7743686 0.80 FFAR4 (0.42) LMNAACE2OPRM1SPHK1MEN1
SCHEMBL7743492 0.80 FFAR4 (0.42) LMNAACE2OPRM1SPHK1MEN1
SCHEMBL5605814 0.80 ACE2 (0.42) LMNAACE2OPRM1CA1SPHK1
SCHEMBL7743524 0.80 ACE2 (0.42) LMNAACE2OPRM1CA1SPHK1

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-2001002512-A1 USE OF DIMERIZED FISCHER-TROPSCH PROCESS PRODUCTS AND VINYLIDENE DERIVATIVES THEREOF SASOL TECHNOLOGY (PTY) LTD. (ZA) 2001-01-11 WO disclosed