SCHEMBL9509850

SCHEMBL9509850

CCCCCC(=O)OC(C)CCC(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ACE2 Q9BYF1 1/20 0.51
FAAH O00519 4/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 3/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 3/20 0.45
MEN1 O00255 1/20 0.44
GMNN O75496 1/20 0.44
HSP90AA1 P07900 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL9703061 0.98 LMNA (0.61) LMNAACE2FAAHMAPTMAPK1
SCHEMBL9507450 0.98 LMNA (0.61) LMNAACE2FAAHMAPTMAPK1
SCHEMBL9509877 0.98 LMNA (0.61) LMNAACE2FAAHMAPTMAPK1
SCHEMBL9509874 0.95 LMNA (0.50) LMNAACE2FAAHMAPTMAPK1
SCHEMBL27465616 0.89 LMNA (0.71) LMNAFAAHMAPTMAPK1CNR1
SCHEMBL9511204 0.87 CYP1A2 (0.47) LMNAACE2FAAHCNR1CNR2
SCHEMBL8423457 0.86 LMNA (0.61) LMNAFAAHMAPTMAPK1CNR1
SCHEMBL9958885 0.85 LMNA (0.66) LMNAFAAHMAPTMAPK1CNR1
SCHEMBL7178425 0.85 LMNA (0.66) LMNAFAAHMAPTMAPK1CNR1
SCHEMBL27879559 0.85 LMNA (0.66) LMNAFAAHMAPTMAPK1CNR1

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