SCHEMBL9050824

SCHEMBL9050824

COc1ccc(C=C(CC(=O)N2CC3CCCCC3C2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 5/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 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
SCHEMBL9048944 1.00 HPGD (0.42) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9050815 1.00 HPGD (0.42) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9050826 1.00 HPGD (0.42) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9050821 1.00 HPGD (0.42) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9048560 0.88 ALDH1A1 (0.41) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9048542 0.88 ALDH1A1 (0.41) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9048555 0.88 ALDH1A1 (0.41) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9048549 0.88 ALDH1A1 (0.41) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9048540 0.88 ALDH1A1 (0.41) HPGDGAAALDH1A1RAB9AFFAR1
SCHEMBL9045983 0.87 ALDH1A1 (0.40) HPGDALDH1A1RAB9AFFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 EP claimed