SCHEMBL8717637

SCHEMBL8717637

c1ccc(COCC(CN2CCCC2)C(COCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
RAB9A P51151 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LTA4H P09960 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 2/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL9839972 0.77 TSHR (0.74) TSHRRAB9AHSD17B10MEN1KMT2A
SCHEMBL9838672 0.77 TSHR (0.51) TSHRRAB9AHSD17B10LTA4HMEN1
SCHEMBL9838885 0.77 TSHR (0.74) TSHRRAB9AHSD17B10MEN1KMT2A
SCHEMBL9838876 0.77 TSHR (0.74) TSHRRAB9AHSD17B10MEN1KMT2A
SCHEMBL9869891 0.77 TSHR (0.51) TSHRRAB9AHSD17B10LTA4HMEN1
SCHEMBL5742123 0.71 CA1 (0.56) TSHRKMT2ATACR1MAPK1HTT
SCHEMBL4663018 0.70 LTA4H (0.60) TSHRRAB9AHSD17B10LTA4HLMNA
SCHEMBL18723710 0.69 LTA4H (0.52) RAB9ALTA4HLMNAKDM4EALDH1A1
SCHEMBL22571978 0.69 CA1 (0.54) TSHRKMT2ATACR1MAPK1HTT
SCHEMBL6930625 0.69 CA1 (0.50) TSHRMEN1KMT2AKDM4ETACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858335-A1 2-ALKYLPYRROLIDINES NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
WO-1997009040-A1 2-ALKYLPYRROLIDINES NOVO NORDISK A/S (DK) 1997-03-13 WO disclosed