SCHEMBL23544359

SCHEMBL23544359

CCC(C)CC(N)CCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.49
TSHR P16473 4/20 0.43
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CA12 O43570 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 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
SCHEMBL12636356 0.85 SLC1A1 (0.51) SLC1A1TSHRLMNAKDM4EKMT2A
SCHEMBL2948709 0.84 TSHR (0.50) SLC1A1TSHRLMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL1879796 0.83 SLC1A1 (0.50) SLC1A1TSHRLMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL1879795 0.83 SLC1A1 (0.50) SLC1A1TSHRLMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL4740477 0.82 SLC1A1 (0.49) SLC1A1TSHRLMNAKDM4EKMT2A
SCHEMBL3685300 0.82 TSHR (0.52) SLC1A1TSHRLMNAKDM4EKMT2A
SCHEMBL12951352 0.82 TSHR (0.52) SLC1A1TSHRLMNAKDM4EKMT2A
SCHEMBL2217142 0.82 TSHR (0.57) SLC1A1TSHRLMNAKDM4EKMT2A
SCHEMBL8510377 0.81 GABRP (0.54) SLC1A1TSHRLMNAKMT2AMEN1
SCHEMBL5998671 0.81 GABRP (0.54) SLC1A1TSHRLMNAKMT2AMEN1

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
EP-3838891-A1 ALDIMINES AND USES THEREOF BOSTIK SA (FR) 2021-06-23 EP disclosed