SCHEMBL9048540

SCHEMBL9048540

COc1ccc(/C=C(\CC(=O)N2CC3CC=CCC3C2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 2/20 0.38
GPR183 P32249 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9048549 1.00 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDMAPTTHRB
SCHEMBL9048555 1.00 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDMAPTTHRB
SCHEMBL9048560 1.00 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDMAPTTHRB
SCHEMBL9048542 1.00 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDMAPTTHRB
SCHEMBL9050821 0.88 HPGD (0.42) ALDH1A1RAB9AHPGDMAPTKMT2A
SCHEMBL9048944 0.88 HPGD (0.42) ALDH1A1RAB9AHPGDMAPTKMT2A
SCHEMBL9050815 0.88 HPGD (0.42) ALDH1A1RAB9AHPGDMAPTKMT2A
SCHEMBL9050824 0.88 HPGD (0.42) ALDH1A1RAB9AHPGDMAPTKMT2A
SCHEMBL9050826 0.88 HPGD (0.42) ALDH1A1RAB9AHPGDMAPTKMT2A
SCHEMBL4466176 0.87 ALDH1A1 (0.36) ALDH1A1RAB9AHPGDMAPTKDM4E

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
EP-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 EP claimed
EP-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 EP disclosed
US-5202335-A Hypoglycemic, antidiabetic agents KISSEI PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
EP-0507534-A1 Succinic acid compounds KISSEI PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed