SCHEMBL9076971

SCHEMBL9076971

CCOS(=O)(=O)c1ccc(C)cc1C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
GPR119 Q8TDV5 5/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP13 P45452 1/20 0.38
MAPT P10636 1/20 0.38
KAT6A Q92794 1/20 0.37
KAT5 Q92993 1/20 0.37
BRD4 O60885 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NR1H2 P55055 2/20 0.37
NAMPT P43490 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL28476786 0.79 KMT2A (0.40) EPHX2LMNANPSR1MAPTKAT6A
SCHEMBL28704162 0.78 PTGDR2 (0.42) KMT2AMEN1
SCHEMBL29013151 0.78 MEN1 (0.37) EPHX2GPR119KDM4ELMNANPSR1
SCHEMBL28479502 0.78 JAK2 (0.41) EPHX2MAPTKAT6AKAT5BRD4
SCHEMBL28715400 0.75 ALDH1A1 (0.36) EPHX2KDM4ELMNAMAPTKMT2A
SCHEMBL28467370 0.74 TSHR (0.34) LMNAKMT2AMEN1
SCHEMBL28695024 0.72 TSHR (0.33) KMT2AMEN1
SCHEMBL3918082 0.72 ALDH1A1 (0.38) EPHX2LMNAKMT2AMEN1
SCHEMBL29282409 0.72 PTGDR2 (0.36) KMT2AMEN1
SCHEMBL17736163 0.71 GPR119 (0.53) GPR119KDM4ELMNAMAPTKMT2A

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
US-5567726-A SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE-LIKE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS MERCK, SHARP & DOHME LTD. (GB) 1996-10-22 US disclosed
WO-1994002477-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO disclosed