SCHEMBL13619971

SCHEMBL13619971

COc1cccc2c1c(C(=O)O)cn2CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.45
BAD Q92934 3/20 0.45
CNR2 P34972 5/20 0.43
CNR1 P21554 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
P2RX7 Q99572 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39

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
SCHEMBL2033486 0.85 MCL1 (0.52) MCL1BADCNR2CNR1ALDH1A1
SCHEMBL2037230 0.84 CNR2 (0.60) MCL1BADCNR2CNR1SMN1; SMN2
SCHEMBL12484505 0.83 LTB4R (0.49) MCL1BADCNR2CNR1ALDH1A1
SCHEMBL17908066 0.78 ABCG2 (0.50) MCL1BADALDH1A1MAPTHTT
SCHEMBL2035666 0.78 P2RX7 (0.48) MCL1BADCNR2CNR1ALDH1A1
SCHEMBL1127285 0.76 PLK1 (0.57) CNR2CNR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2034373 0.74 ALDH1A1 (0.50) MCL1BADCNR2CNR1ALDH1A1
SCHEMBL7835036 0.73 CA12 (0.41) MCL1BADALDH1A1LTB4RLTB4R2
SCHEMBL13619973 0.72 HPGD (0.50) CNR2CNR1ALDH1A1MAPTKDM4E
SCHEMBL2044464 0.72 P2RX7 (0.50) MCL1BADCNR2CNR1ALDH1A1

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-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed