SCHEMBL16972752

SCHEMBL16972752

CCCC(=O)CCC(=O)CCC(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
LMNA P02545 3/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
CA12 O43570 3/20 0.42
CA14 Q9ULX7 3/20 0.42
POLB P06746 2/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CES2 O00748 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
SCHEMBL9736888 1.00 TSHR (0.65) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL28792466 0.97 TSHR (0.68) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL10481290 0.89 TSHR (0.81) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL25187 0.89 TSHR (0.81) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL6862564 0.86 TSHR (0.59) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL6821580 0.86 TSHR (0.68) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL8660355 0.84 TSHR (0.56) TSHRLMNAKDM4EKMT2AMAPT
SCHEMBL16048877 0.84 TSHR (0.58) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL29078363 0.84 TSHR (0.58) TSHRLMNAALDH1A1KMT2AMAPT
Dimethyl Succinate SCHEMBL28180608 0.84 TSHR (0.81) TSHRLMNAKDM4EALDH1A1KMT2A

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-2015116801-A2 COMPOSITIONS AND METHODS FOR CAPTURING, KILLING OR REPELLING BED BUGS OLFACTOR LABORATORIES, INC. (US) 2015-08-06 WO disclosed