SCHEMBL8396177

SCHEMBL8396177

CCCOC(=O)CCC(=O)N(CC#N)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.45
MTNR1B P49286 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
THRB P10828 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL8400239 0.92 SMN1; SMN2 (0.51) MTNR1AMTNR1BSMN1; SMN2TDP1MAPT
SCHEMBL8396222 0.91 SMN1; SMN2 (0.43) MTNR1AMTNR1BSMN1; SMN2MAPTKDM4E
SCHEMBL8400465 0.88 MTNR1A (0.52) MTNR1AMTNR1BKMT2A
SCHEMBL8396315 0.87 SMN1; SMN2 (0.47) SMN1; SMN2TDP1MAPTALDH1A1L3MBTL1
SCHEMBL8396079 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1TSHRMAPK1
SCHEMBL8395385 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TDP1MAPTALDH1A1TSHR
SCHEMBL8399213 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TDP1KDM4EPTGDR2MEN1
SCHEMBL8399172 0.86 LTB4R2 (0.45) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A
SCHEMBL8399265 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1MAPK1KMT2A
SCHEMBL8400205 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKDM4EALDH1A1TSHR

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-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed