SCHEMBL9538259

SCHEMBL9538259

CC(CO)(COS(C)(=O)=O)NCc1cc2ccc3ccc4ccccc4c3c2o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.40
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MPI P34949 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL9779157 0.90 SLC2A1 (0.38) SLC2A1CYP2D6KDM4EALDH1A1MAPT
SCHEMBL9538254 0.90 SLC2A1 (0.48) SLC2A1CYP2D6KDM4EALDH1A1MAPT
SCHEMBL9537099 0.86 SLC2A1 (0.40) SLC2A1CYP2D6KDM4EALDH1A1MAPT
SCHEMBL9536575 0.83 SLC2A1 (0.37) SLC2A1
SCHEMBL10348573 0.80 SLC2A1 (0.59) SLC2A1KDM4EALDH1A1MAPT
SCHEMBL9778854 0.80 SLC2A1 (0.39) SLC2A1KDM4EALDH1A1MAPTTSHR
SCHEMBL9779155 0.79 SLC2A1 (0.46) SLC2A1CYP2D6KDM4EALDH1A1MAPT
SCHEMBL9526537 0.78 SLC2A1 (0.40) SLC2A1CYP2D6KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL9526852 0.77 SLC2A1 (0.39) SLC2A1CYP2D6KDM4EALDH1A1MAPT
SCHEMBL9465883 0.77 SLC2A1 (0.46) SLC2A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182608-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-03-03 EP disclosed
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4952597-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-08-28 US disclosed
US-4918101-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-04-17 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed
US-4873258-A Benzo[c] carbazole propanediol containing anti tumor compositions and use BURROUGHS WELLCOME CO. (US) 1989-10-10 US disclosed
US-4797495-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS BURROUGHS WELLCOME CO. (US) 1989-01-10 US disclosed
EP-0182608-A2 Polycyclic compounds, their preparation and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-05-28 EP disclosed