SCHEMBL7806296

SCHEMBL7806296

COc1cc(N2CCCC2=O)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
P2RX7 Q99572 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.49
PKM P14618 1/20 0.49
BRD9 Q9H8M2 1/20 0.49
LMNA P02545 2/20 0.49
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CHEK1 O14757 1/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL20180887 0.89 SMN1; SMN2 (0.56) MAPTSMN1; SMN2P2RX7ALDH1A1KDM4E
SCHEMBL7294542 0.89 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL20091850 0.86 CHEK1 (0.60) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL11117825 0.85 NPC1 (0.59) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL16915136 0.85 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL30602445 0.85 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL23997016 0.84 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL12051770 0.83 PKM (0.60) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL24196349 0.83 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL22040205 0.82 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1KDM4EHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 WO disclosed