SCHEMBL8675012

SCHEMBL8675012

CC(=O)OC(OC(C)=O)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
EPHX1 P07099 2/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
DHODH Q02127 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL8444779 0.98 TSHR (0.44) TSHREPHX1MAPK1MEN1KMT2A
SCHEMBL8674655 0.98 TSHR (0.44) TSHREPHX1MAPK1MEN1KMT2A
SCHEMBL17471358 0.86 TSHR (0.43) TSHREPHX1MAPK1MEN1KMT2A
SCHEMBL7603128 0.84 TSHR (0.37) TSHRMAPK1KMT2ACHRM2CHRM4
SCHEMBL9609345 0.84 TSHR (0.44) TSHREPHX1MAPK1MEN1KMT2A
SCHEMBL23652285 0.82 TSHR (0.36) TSHREPHX1MAPK1MEN1KMT2A
SCHEMBL9615708 0.80 DPP4 (0.42) TSHRMAPK1CHRM2CHRM4CHRM1
SCHEMBL873507 0.79 TSHR (0.50) TSHREPHX1MAPK1MEN1KMT2A
SCHEMBL11170830 0.79 TSHR (0.50) TSHREPHX1MAPK1MEN1KMT2A
SCHEMBL1051503 0.79 TSHR (0.50) TSHREPHX1MAPK1MEN1KMT2A

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-5783602-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed