SCHEMBL8716828

SCHEMBL8716828

COC(=O)C(=Cc1c(Cl)n(Cc2ccc(OC)cc2)c2ccccc12)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.54
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MCL1 Q07820 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
TP53 P04637 1/20 0.46
PLA2G2A P14555 2/20 0.46
TSPO P30536 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
CHRM1 P11229 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8713413 0.91 ALDH1A1 (0.53) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL8719322 0.91 MAPT (0.46) P2RX4MCL1PLA2G2AMAPTKMT2A
SCHEMBL8717544 0.90 MEN1 (0.52) P2RX4HDAC1HDAC6MCL1HDAC11
SCHEMBL8717817 0.85 MEN1 (0.47) P2RX4HDAC1HDAC6MCL1HDAC11
SCHEMBL8717821 0.85 MEN1 (0.47) P2RX4HDAC1HDAC6MCL1HDAC11
SCHEMBL8720531 0.85 MEN1 (0.48) P2RX4HDAC1TP53PLA2G2ATSPO
SCHEMBL8720533 0.85 MEN1 (0.48) P2RX4HDAC1TP53PLA2G2ATSPO
SCHEMBL8717326 0.82 P2RX4 (0.63) P2RX4TP53PLA2G2AMAPTKMT2A
SCHEMBL8714193 0.80 ALDH1A1 (0.51) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8717517 0.80 MAPT (0.61) P2RX4TSPOMAPTKMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843660-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-27 EP claimed
WO-1997005109-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO claimed
EP-0843660-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-27 EP disclosed
US-5696148-A POTENT ANTAGONIST OF METABOTROPIC GLUTAMATE RECEPTORS; TREATING EPILEPSY, PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, BRAIN DISORDER AND ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1997-12-09 US disclosed
WO-1997005109-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO disclosed