SCHEMBL9508692

SCHEMBL9508692

CCCCC(=O)OC(C)CCC(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
FAAH O00519 5/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL9507403 0.95 LMNA (0.59) LMNAFAAHCNR1CNR2MAPT
SCHEMBL9511067 0.93 LMNA (0.62) LMNAFAAHCNR1CNR2MAPT
SCHEMBL9509822 0.93 LMNA (0.62) LMNAFAAHCNR1CNR2MAPT
SCHEMBL9511121 0.93 LMNA (0.62) LMNAFAAHCNR1CNR2MAPT
SCHEMBL9508739 0.89 FAAH (0.44) LMNAFAAHCNR1CNR2MAPT
SCHEMBL880135 0.86 LMNA (0.57) LMNAFAAHCNR1CNR2MAPT
SCHEMBL11386694 0.86 LMNA (0.57) LMNAFAAHCNR1CNR2MAPT
SCHEMBL27465616 0.85 LMNA (0.71) LMNAFAAHCNR1CNR2MAPT
SCHEMBL22534407 0.85 FAAH (0.60) LMNAFAAHCNR1CNR2MAPT
SCHEMBL9509874 0.84 LMNA (0.50) LMNAFAAHCNR1CNR2MAPT

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
EP-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed