SCHEMBL9535925

SCHEMBL9535925

CC(CO)(CO)NCc1cc2c3ccccc3c3ccccc3c2o1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
CYP1A2 P05177 1/20 0.35
CD274 Q9NZQ7 1/20 0.32
TLR8 Q9NR97 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL9536569 0.93 SLC2A1 (0.46) SLC2A1CYP1A2
SCHEMBL9536575 0.84 SLC2A1 (0.37) SLC2A1
SCHEMBL9535421 0.84 SLC2A1 (0.38) SLC2A1
SCHEMBL9526537 0.82 SLC2A1 (0.40) SLC2A1CYP1A2
Hydrochloric Acid SCHEMBL9526852 0.81 SLC2A1 (0.39) SLC2A1CYP1A2
SCHEMBL9779155 0.79 SLC2A1 (0.46) SLC2A1
SCHEMBL9537099 0.79 SLC2A1 (0.40) SLC2A1CYP1A2
SCHEMBL9524760 0.78 KDM4E (0.46) SLC2A1
SCHEMBL9843623 0.78 ADRB2 (0.39) SLC2A1CYP1A2
SCHEMBL9536377 0.78 SLC2A1 (0.44) SLC2A1CYP1A2DYRK1A

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 11 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 claimed
US-4918101-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-04-17 US claimed
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-4855453-A Tetracyclic thiophene derivatives BURROUGHS WELLCOME CO. (US) 1989-08-08 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