SCHEMBL9779073

SCHEMBL9779073

Cn1c2ccccc2c2cc(CNC(C)(CO)CO)c3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
GPR3 P46089 1/20 0.38
HPGD P15428 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
Hydrochloric Acid SCHEMBL9779120 0.99 SLC2A1 (0.43) SLC2A1ALKBH5FTOGPR3HPGD
SCHEMBL9754530 0.85 SLC2A1 (0.48) SLC2A1ALKBH5FTOGPR3HPGD
SCHEMBL9779191 0.82 SLC2A1 (0.48) SLC2A1GPR3HPGDALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9778928 0.81 SLC2A1 (0.47) SLC2A1GPR3HPGDALDH1A1KDM4E
SCHEMBL9843455 0.81 SLC2A1 (0.56) SLC2A1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL9754534 0.79 ALKBH5 (0.35) SLC2A1ALKBH5FTOGPR3HPGD
SCHEMBL10484510 0.76 SLC2A1 (0.52) SLC2A1HPGDALDH1A1KDM4ELMNA
SCHEMBL7497855 0.76 SLC2A1 (0.34) SLC2A1ALKBH5FTOGPR3HPGD
SCHEMBL9754616 0.76 SLC2A1 (0.39) SLC2A1ALKBH5FTOGPR3HPGD
Hydrochloric Acid SCHEMBL9754560 0.75 SLC2A1 (0.34) SLC2A1ALKBH5FTOGPR3HPGD

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
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed