SCHEMBL5485480

SCHEMBL5485480

[c]1ccc2ccccc2c1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
POLB P06746 6/20 0.41
KMT2A Q03164 4/20 0.41
ESR1 P03372 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
HPGD P15428 6/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PKM P14618 3/20 0.39
LMNA P02545 3/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
PTPN7 P35236 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
CASP7 P55210 2/20 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
SCHEMBL114219 0.78 ALDH1A1 (0.48) ALDH1A1TDP1HPGDHSD17B10THRB
SCHEMBL9537233 0.72 ALOX5 (0.45) ALDH1A1KDM4EKMT2ATDP1HPGD
SCHEMBL10624403 0.72 ALDH1A1 (0.37) ALDH1A1TDP1HPGDHSD17B10TSHR
SCHEMBL134135 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AESR1TDP1
SCHEMBL578393 0.69 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBTDP1HPGD
SCHEMBL157996 0.69 KDM4E (0.46) ALDH1A1KDM4EPOLBKMT2AESR1
SCHEMBL14782750 0.69 KDM4E (0.36) ALDH1A1KDM4EPOLBKMT2ATDP1
SCHEMBL4558087 0.68 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBKMT2ATDP1
SCHEMBL6537032 0.67 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL20774056 0.67 ALDH1A1 (0.45) ALDH1A1POLBTDP1HPGDHSD17B10

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-1838288-A1 THERAPEUTIC MATERIALS AND METHODS ARIAD GENE THERAPEUTICS, INC. (US) 2007-10-03 EP disclosed
WO-2006069038-A1 THERAPEUTIC MATERIALS AND METHODS ARIAD GENE THERAPEUTICS, INC. (US) 2006-06-29 WO disclosed