SCHEMBL9508739

SCHEMBL9508739

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.38
EPHX2 P34913 1/20 0.36
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL9508692 0.89 LMNA (0.52) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL9507403 0.87 LMNA (0.59) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL9511121 0.85 LMNA (0.62) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL9511067 0.85 LMNA (0.62) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL9509822 0.85 LMNA (0.62) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL9447620 0.85 ALDH1A1 (0.48) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL3099673 0.85 ALDH1A1 (0.48) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL9507681 0.83 FAAH (0.42) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL9511204 0.82 CYP1A2 (0.47) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL22127590 0.82 ALDH1A1 (0.44) FAAHCNR1CNR2ALDH1A1LMNA

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