SCHEMBL20935446

SCHEMBL20935446

CC(CCCCC(=O)O)c1ccnc2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.41
SLC22A12 Q96S37 1/20 0.39
CHRNA1 P02708 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.37
TBXA2R P21731 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL21138127 0.73 CCNC (0.45) IDO1SLC22A12
SCHEMBL1038019 0.70 GAA (0.45) IDO1SLC22A12
SCHEMBL24469567 0.67 GAK (0.44) IDO1SLC22A12
SCHEMBL20534712 0.67 CES2 (0.44)
SCHEMBL29878298 0.66 PKM (0.54) IDO1SLC22A12
SCHEMBL28659540 0.66 PKM (0.54) IDO1SLC22A12
SCHEMBL7372413 0.66 LMNA (0.60) SLC22A12
SCHEMBL27788468 0.66 TBXA2R (0.51) TBXA2R
SCHEMBL20534476 0.66 FFAR1 (0.44) TBXA2R
SCHEMBL27640849 0.65 TSHR (0.53)

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
WO-2019078968-A2 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. (US) 2019-04-25 WO disclosed