SCHEMBL9206205

SCHEMBL9206205

CCCCC=CCCCCCCC(C)(C)NCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
TRPV1 Q8NER1 3/20 0.41
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
ACLY P53396 1/20 0.40
PPARA Q07869 2/20 0.40
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
TERT O14746 3/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36
FABP4 P15090 2/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL9203676 0.96 FAAH (0.45) FAAHTRPV1F7F3ACLY
SCHEMBL9210731 0.96 FAAH (0.45) FAAHTRPV1F7F3ACLY
SCHEMBL9209416 0.96 FAAH (0.45) FAAHTRPV1F7F3ACLY
SCHEMBL9214931 0.96 FAAH (0.45) FAAHTRPV1F7F3ACLY
SCHEMBL9211452 0.87 PPARA (0.46) FAAHTRPV1F7F3ACLY
SCHEMBL9211740 0.87 PPARA (0.46) FAAHTRPV1F7F3ACLY
SCHEMBL9209293 0.85 PPARA (0.43) FAAHTRPV1F7F3ACLY
SCHEMBL8854153 0.83 TSHR (0.40)
SCHEMBL9213660 0.83 TSHR (0.40)
SCHEMBL27848911 0.83 TSHR (0.40)

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-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed