SCHEMBL8135653

SCHEMBL8135653

C=CCCC(CCC)OC(=O)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G2C Q5R387 1/20 0.35
ALDH1A1 P00352 6/20 0.33
TSHR P16473 4/20 0.33
LMNA P02545 2/20 0.33
FAAH O00519 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33
MGLL Q99685 2/20 0.32
PRKCD Q05655 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 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
SCHEMBL31443165 0.87 MEN1 (0.38) CTSKMEN1CYP2C19RECQLKMT2A
SCHEMBL28650164 0.84 MEN1 (0.46) CTSKMEN1CYP2C19RECQLKMT2A
SCHEMBL8138708 0.84 PLA2G2C (0.39) CTSKMEN1RECQLKMT2APLA2G2C
SCHEMBL14538300 0.82 CTSK (0.37) CTSKPLA2G2CALDH1A1TSHRLMNA
SCHEMBL8128888 0.81 CTSK (0.36) CTSKPLA2G2CALDH1A1TSHRFAAH
SCHEMBL8136371 0.78 CTSK (0.35) CTSKPLA2G2CALDH1A1TSHRFAAH
SCHEMBL25384110 0.77 MEN1 (0.41) CTSKMEN1CYP2C19RECQLKMT2A
SCHEMBL29379967 0.77 CTSK (0.49) CTSKMEN1CYP2C19RECQLKMT2A
SCHEMBL28440483 0.77 MAPT (0.44) CTSKMEN1CYP2C19RECQLKMT2A
SCHEMBL3793162 0.77 PRKCA (0.46) CTSKMEN1CYP2C19RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10067707-A None JP disclosed
US-6072077-A COMPUNDS HAVING INTENSIVE MANGO AROMA, FLAVOR INTENSIFYING AND ROUNDING ACTION HAARMANN & REIMER, GMBH (DE) 2000-06-06 US disclosed
JP-H1067707-A 5-Z-OCTENYL ESTERS, THEIR PRODUCTION AND THEIR USE HAARMANN & REIMER GMBH 1998-03-10 JP disclosed