SCHEMBL8799086

SCHEMBL8799086

Nc1cc2c(cc1C(=O)CCl)OCCO2.Nc1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6431490 0.90 KDM4E (0.57) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL31692120 0.90 KDM4E (0.57) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL30884756 0.81 ALDH1A1 (0.45) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL8041232 0.81 ALDH1A1 (0.45) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL31108920 0.78 ALDH1A1 (0.43) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL30197402 0.74 MAPT (0.83) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL159592 0.74 MAPT (0.83) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL21901501 0.74 KDM4E (0.61) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL1535157 0.74 ATM (0.72) MAPTKDM4ETDP1ALDH1A1LMNA
SCHEMBL11219888 0.73 THRB (0.57) MAPTKDM4EGAATDP1ALDH1A1

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-0758333-A1 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION GLAXO WELLCOME INC. (US) 1997-02-19 EP disclosed
WO-1995029917-A2 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION GLAXO WELLCOME INC. (US) 1995-11-09 WO disclosed