SCHEMBL9857985

SCHEMBL9857985

CCOC(=O)Oc1[nH]cc(-c2ccc(C)cc2)c1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
OPRM1 P35372 1/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35

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
SCHEMBL9857315 0.90 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL9858268 0.81 ALDH1A1 (0.56) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL9857938 0.80 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL9857773 0.77 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL9857274 0.76 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL8921982 0.74 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL1082558 0.71 GSK3B (0.38) ALDH1A1HSD17B10KMT2ARAB9AL3MBTL1
SCHEMBL8923442 0.70 ALDH1A1 (0.83) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL9858232 0.68 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL9858074 0.67 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10MEN1

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-0431371-A1 3-Aminopyrroles, process for this preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-06-12 EP claimed