SCHEMBL6288864

SCHEMBL6288864

O=C1OC=CC1c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
BLM P54132 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP2 O95551 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
GALK1 P51570 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
MTNR1A P48039 2/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL9694499 0.71 MEN1 (0.45) ALDH1A1KDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL2302687 0.70 ALDH1A1 (0.38) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL28610364 0.69 MTNR1A (0.41) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL19993845 0.67 MTNR1A (0.42) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL27726500 0.67 IDO1 (0.53) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL9390206 0.66 KDM1A (0.47) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL1025256 0.66 KDM1A (0.43) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL21889682 0.66 PLA2G6 (0.43) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL27705886 0.66 MAPK1 (0.43) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6288863 0.64 PLA2G6 (0.56) MAPK1ALDH1A1KDM4EMAPTHPGD

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
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US disclosed