SCHEMBL20007623

SCHEMBL20007623

C/C=C1/CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
ADORA1 P30542 2/20 0.49
NR1H2 P55055 2/20 0.49
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL13291999 1.00 ESR2 (0.50) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL20464223 0.90 ESR2 (0.45) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL991494 0.90 ESR2 (0.45) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL991492 0.90 ESR2 (0.45) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL10253506 0.90 USP2 (0.51) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL16925456 0.88 HPGD (0.48) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL1488405 0.86 USP2 (0.46) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL30857785 0.85 ESR2 (0.49) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL30857796 0.85 ESR2 (0.49) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL28687778 0.85 ESR2 (0.49) ESR2ADORA1NR1H2USP2SMN1; SMN2

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-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed