SCHEMBL9858232

SCHEMBL9858232

O=C(OCc1ccccc1)Oc1[nH]cc(-c2ccccc2)c1N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
PRKDC P78527 5/20 0.42
LIPE Q05469 1/20 0.41
LRRK2 Q5S007 2/20 0.40
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8541928 0.84 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10ALOX15KMT2A
SCHEMBL9857856 0.84 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10ALOX15KMT2A
SCHEMBL9858064 0.82 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10ALOX15MEN1
SCHEMBL9857315 0.78 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10ALOX15MEN1
SCHEMBL9857773 0.75 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10ALOX15MEN1
SCHEMBL9857298 0.74 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10ALOX15MEN1
SCHEMBL9858266 0.74 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10ALOX15MEN1
SCHEMBL9858074 0.74 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10ALOX15MEN1
SCHEMBL8546603 0.74 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10ALOX15LRRK2
SCHEMBL9858082 0.74 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10ALOX15MEN1

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