SCHEMBL7948619

SCHEMBL7948619

COC(=O)C(Oc1c(C=O)cccc1OC)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
ERN1 O75460 2/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
TLR6 Q9Y2C9 1/20 0.48
NFE2L2 Q16236 4/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
PLIN1 O60240 1/20 0.38
PLIN5 Q00G26 1/20 0.38
KMT2A Q03164 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38

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
SCHEMBL8053202 0.89 SRC (0.54) SRCERN1TLR2TLR1TLR6
SCHEMBL20068035 0.86 SRC (0.54) SRCERN1TLR2TLR1TLR6
SCHEMBL11684737 0.80 SRC (0.59) SRCERN1TLR2TLR1TLR6
SCHEMBL1253814 0.79 SRC (0.58) SRCERN1TLR2TLR1TLR6
SCHEMBL15331107 0.79 KMT2A (0.58) SRCERN1TLR2TLR1TLR6
SCHEMBL2556723 0.78 SRC (0.51) SRCERN1TLR2TLR1TLR6
SCHEMBL15333363 0.78 SRC (0.54) SRCERN1TLR2TLR1TLR6
SCHEMBL6599199 0.77 SRC (0.50) SRCERN1TLR2TLR1TLR6
SCHEMBL2560107 0.77 SRC (0.50) SRCERN1TLR2TLR1TLR6
SCHEMBL3308881 0.77 SRC (0.56) SRCERN1TLR2TLR1TLR6

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
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed