SCHEMBL9857777

SCHEMBL9857777

Cn1cc(-c2ccccc2)c(N2CCOCC2)c1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
EPHX1 P07099 2/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
USP2 O75604 1/20 0.40
CHRNA7 P36544 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9857290 0.90 POLB (0.43) ALDH1A1HSD17B10HPGDALOX15MAPT
SCHEMBL9857292 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDALOX15MAPT
SCHEMBL8922256 0.81 HSD17B10 (0.49) ALDH1A1HSD17B10HPGDALOX15EPHX1
SCHEMBL9857856 0.73 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDALOX15EPHX1
SCHEMBL9858064 0.72 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDALOX15EPHX1
SCHEMBL8922352 0.71 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL8920356 0.70 AKR1C3 (0.40) ALDH1A1HSD17B10HPGDALOX15MAPT
SCHEMBL8923602 0.70 PIK3CA (0.42) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL8541928 0.70 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDALOX15EPHX1
SCHEMBL27395864 0.68 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDALOX15MAPT

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