SCHEMBL14720539

SCHEMBL14720539

CC(C)CCCC(C)CCCC1CCC(C)(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.41
EBP Q15125 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
BLM P54132 1/20 0.35
PTPN1 P18031 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CDC25A P30304 3/20 0.34
CDC25B P30305 3/20 0.34
GSTP1 P09211 1/20 0.32
TTPA P49638 1/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL15298489 0.83 MAPT (0.40) LMNAMAPTEBPSIGMAR1BLM
SCHEMBL15298586 0.83 MAPT (0.40) LMNAMAPTEBPSIGMAR1BLM
SCHEMBL24370409 0.78 LMNA (0.48) LMNAMAPTEBPSIGMAR1BLM
SCHEMBL11372817 0.77 LMNA (0.56) LMNAMAPTEBPSIGMAR1BLM
SCHEMBL12501741 0.76 MAPT (0.49) LMNAMAPTEBPSIGMAR1BLM
SCHEMBL15298491 0.76 LMNA (0.46) LMNAMAPTSIGMAR1BLMPTPN1
SCHEMBL876348 0.76
SCHEMBL4258397 0.74 MAPT (0.33) MAPTEBPCDC25ACDC25B
SCHEMBL11454241 0.74 CDC25A (0.31) MAPTEBPCDC25ACDC25B
SCHEMBL15298484 0.74 LMNA (0.43) LMNAMAPTSIGMAR1BLMPTPN1

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-2013028307-A1 DERIVATIVES OF HYDROCARBON TERPENES Amyris, Inc. (US) 2013-02-28 WO disclosed