SCHEMBL28219328

SCHEMBL28219328

CCC(CN(CC)CC)C(O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLK1 P53350 1/20 0.30
ACHE P22303 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL7666568 0.84 TSHR (0.31) TSHR
SCHEMBL20125506 0.76 PLA2G1B (0.32) PLA2G1BPLA2G2A
SCHEMBL16597197 0.74 PLA2G1B (0.37) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL320579 0.73
SCHEMBL11429 0.72 TSHR (0.41) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL8780310 0.72 TSHR (0.35) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL1147342 0.71 TSHR (0.44) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL1133420 0.71
Water SCHEMBL28099960 0.70 ACHE (0.41) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
Hydrochloric Acid SCHEMBL2243173 0.69 L3MBTL1 (0.37) TSHRNPY1RNPY2RPLA2G1BPLA2G2A

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-108138023-A Polyurethane adhesive layer for electro-optical assemblies 伊英克公司 2018-06-08 CN disclosed