SCHEMBL9755523

SCHEMBL9755523

CCCCCCCCC=CCCCCCC(C)C(CCO)(CCO)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.47
SOAT1 P35610 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.44
CNR1 P21554 6/20 0.42
CNR2 P34972 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
Hydrochloric Acid SCHEMBL4381321 0.99 FAAH (0.46) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL21240019 0.87 FAAH (0.51) FAAHSOAT1CYP1A2CYP2C19MEN1
Acetic Acid SCHEMBL4394764 0.82 FAAH (0.43) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL28875786 0.80 FAAH (0.53) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL2069006 0.79 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19MEN1
Hydrochloric Acid SCHEMBL8621076 0.78 MEN1 (0.40) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL8634250 0.77 FAAH (0.50) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL9099238 0.76 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL6375257 0.75 FAAH (0.44) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL164527 0.75 FAAH (0.54) FAAHSOAT1CYP1A2CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013122-A1 SUBSTITUTED XANTHENE COMPOUNDS STEADFAST, INCORPORATED (US) 1991-09-05 WO claimed
WO-1991013122-A1 SUBSTITUTED XANTHENE COMPOUNDS STEADFAST, INCORPORATED (US) 1991-09-05 WO disclosed