SCHEMBL9579092

SCHEMBL9579092

CCCCCCCC/C=C\CCCCCCCCC(CCC)OC(CCC)CCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
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
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL1311557 1.00 FAAH (0.47) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL13571362 0.96 FAAH (0.50) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL8431397 0.96 FAAH (0.50) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL9751428 0.96 FAAH (0.50) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL2901524 0.96 FAAH (0.50) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL15082660 0.92 FAAH (0.47) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL4561872 0.90 LPAR2 (0.40) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL25421262 0.90 FAAH (0.45) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL7461147 0.90 FAAH (0.48) FAAHTRPV1ALDH1A1CNR1CNR2
SCHEMBL15082659 0.89 FFAR1 (0.46) FAAHTRPV1ALDH1A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245062-A Phosphonium or ammonium salts as rearrangement catalysts HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-09-14 US disclosed