SCHEMBL22720302

SCHEMBL22720302

CC(C)(C)OC(=O)N1CC(N2CCCC2=C=O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.40
NR1H2 P55055 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PREP P48147 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL22720335 0.86 MAPT (0.42) FPR2MEN1KMT2AALDH1A1MAPT
SCHEMBL2674657 0.82 FPR2 (0.44) FPR2NR1H2MAPTHPGDUSP2
SCHEMBL22720281 0.76 FPR2 (0.39) FPR2NR1H2MEN1KMT2AALDH1A1
SCHEMBL21408161 0.75 CTSK (0.41) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL21201857 0.73 VNN1 (0.50) FPR2MEN1KMT2AALDH1A1MAPT
SCHEMBL22720311 0.73 FPR2 (0.42) FPR2NR1H2MEN1KMT2AALDH1A1
SCHEMBL3712249 0.72 FPR2 (0.50) FPR2MEN1KMT2AALDH1A1MAPT
SCHEMBL7888040 0.72 FPR2 (0.50) FPR2MEN1KMT2AALDH1A1MAPT
SCHEMBL7891812 0.72 FPR2 (0.50) FPR2MEN1KMT2AALDH1A1MAPT
SCHEMBL30866701 0.72 NR1H2 (0.39) FPR2NR1H2HPGDUSP2SMN1; 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-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed