SCHEMBL7302438

SCHEMBL7302438

COc1ccc2c(c1)C=C(CCC(=O)C1C(=S)CN[C@@H]1C(=O)O)C2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.32
MAPKAPK2 P49137 2/20 0.32
MAPKAPK5 Q8IW41 1/20 0.32
HSPA1A P0DMV8 1/20 0.32
PTPN7 P35236 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRIK2 Q13002 2/20 0.32
ALOX5 P09917 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7301075 0.86
SCHEMBL7292572 0.73 PREP (0.38) MTNR1AGAA
SCHEMBL7302893 0.73 PREP (0.37) ALOX5
SCHEMBL7302009 0.72 CYP26A1 (0.47) MTNR1ACYP19A1
SCHEMBL7295503 0.70 PREP (0.36)
SCHEMBL9050827 0.69 PREP (0.30)
SCHEMBL9049310 0.68 PREP (0.40)
SCHEMBL9049370 0.68 ACHE (0.31)
SCHEMBL9050326 0.68 PREP (0.43)
SCHEMBL7437369 0.67 DPP4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP disclosed
US-5028604-A Cognition Activators ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed