SCHEMBL9508041

SCHEMBL9508041

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.45
CYP1A2 P05177 1/20 0.45
ACE2 Q9BYF1 1/20 0.41
FAAH O00519 5/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
BLM P54132 1/20 0.39
LTA4H P09960 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL9511204 0.84 CYP1A2 (0.47) GABRR1CYP1A2ACE2FAAHCNR1
SCHEMBL9511207 0.82 MMP1 (0.55) GABRR1CYP1A2ACE2FAAHCNR1
SCHEMBL9509874 0.81 LMNA (0.50) GABRR1CYP1A2ACE2FAAHCNR1
SCHEMBL9507681 0.81 FAAH (0.42) FAAHCNR1CNR2TDP1MEN1
SCHEMBL880131 0.80 FAAH (0.44) FAAHCNR1CNR2CHRM1AKR1A1
SCHEMBL30547117 0.80 FAAH (0.44) FAAHCNR1CNR2CHRM1AKR1A1
SCHEMBL9509850 0.80 LMNA (0.58) CYP1A2ACE2FAAHCNR1CNR2
SCHEMBL29963921 0.79 GABRP (0.45) CYP1A2FAAHCNR1CNR2HDAC1
SCHEMBL29964310 0.79 GABRP (0.45) CYP1A2FAAHCNR1CNR2HDAC1
Hydrogen Sulfide SCHEMBL1245619 0.78 FAAH (0.43) FAAHCNR1CNR2BLMCHRM1

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