SCHEMBL8997531

SCHEMBL8997531

COC(=O)C1=C(C)N(C2CC2)C(C)=C(C(=O)OC)C1c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
NOTUM Q6P988 5/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL8997524 0.87 NOTUM (0.46) L3MBTL1TSHRNOTUMKMT2A
SCHEMBL9120515 0.86 NPSR1 (0.62) L3MBTL1NPSR1KDM4EHPGDTSHR
SCHEMBL8984913 0.84 L3MBTL1 (0.40) L3MBTL1KDM4EATMTSHRNOTUM
SCHEMBL8440699 0.82 NPSR1 (0.57) L3MBTL1NPSR1KDM4EHPGDTSHR
SCHEMBL9122127 0.81 KDM4E (0.62) NPSR1KDM4EHPGDATMTSHR
SCHEMBL8158392 0.79 NOTUM (0.42) L3MBTL1NPSR1KDM4EHPGDATM
SCHEMBL8136081 0.79 NOTUM (0.42) L3MBTL1NPSR1KDM4EHPGDATM
SCHEMBL9121090 0.78 TSHR (0.48) NPSR1KDM4EHPGDATMTSHR
SCHEMBL9120303 0.77 TSHR (0.52) NPSR1KDM4EHPGDATMTSHR
SCHEMBL9118209 0.76 KDM4E (0.56) NPSR1KDM4EHPGDATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6179654-A None JP disclosed
US-5559139-A ANTIISCHEMIC AGENTS, MICROCIRCULATION BAYER AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
US-5559139-A ANTIISCHEMIC AGENTS, MICROCIRCULATION BAYER AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
JP-H06179654-A 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTER BAYER AG 1994-06-28 JP disclosed