SCHEMBL28305293

SCHEMBL28305293

CC(C)(C)OC(=O)OC(=O)CCC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36
HTR4 Q13639 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
ITGB3 P05106 8/20 0.35
ITGA2B P08514 8/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
F2R P25116 2/20 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
SCHEMBL1201466 0.87 HTR4 (0.39) TPSAB1TPSD1TPSG1HTR4GNAI3
SCHEMBL27517797 0.81 HTR4 (0.38) TPSAB1TPSD1TPSG1HTR4GNAI3
SCHEMBL9210582 0.80 HTR4 (0.39) TPSAB1TPSD1TPSG1HTR4GNAI3
SCHEMBL24541945 0.79 SLC6A1 (0.43) TPSAB1TPSD1TPSG1HTR4GNAI3
Hydrochloric Acid SCHEMBL27475726 0.79 GNAO1 (0.44) TPSAB1TPSD1TPSG1HTR4GNAI3
SCHEMBL5221577 0.78 TPSAB1 (0.44) TPSAB1TPSD1TPSG1HTR4GNAI3
SCHEMBL380886 0.76 TSHR (0.44) TPSAB1TPSD1TPSG1HTR4GNAI3
SCHEMBL27599719 0.76 CHRM2 (0.38) ITGB3ITGA2BF2R
SCHEMBL1201132 0.75 GABRA5 (0.40) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL382045 0.75 GNAI3 (0.43) TPSAB1TPSD1TPSG1HTR4GNAI3

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
CN-110023315-A Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2019-07-16 CN disclosed