SCHEMBL9526537

SCHEMBL9526537

CC(CO)(CO)NCc1cc2ccc3ccccc3c2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.37
PRKDC P78527 1/20 0.36
KMT2A Q03164 2/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
MPI P34949 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNA7 P36544 1/20 0.33

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 SCHEMBL9526852 0.99 SLC2A1 (0.39) SLC2A1ALDH1A1HPGDLMNACYP2D6
SCHEMBL9535421 0.94 SLC2A1 (0.38) SLC2A1ALDH1A1HPGDLMNACYP2D6
SCHEMBL9537099 0.91 SLC2A1 (0.40) SLC2A1ALDH1A1HPGDLMNACYP2D6
SCHEMBL9779155 0.88 SLC2A1 (0.46) SLC2A1ALDH1A1HPGDLMNACYP2D6
SCHEMBL9538254 0.86 SLC2A1 (0.48) SLC2A1ALDH1A1CYP2D6PRKDCKDM4E
SCHEMBL9524760 0.83 KDM4E (0.46) SLC2A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL9535925 0.82 SLC2A1 (0.37) SLC2A1CYP1A2
Hydrochloric Acid SCHEMBL9526162 0.82 KDM4E (0.45) SLC2A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL9779157 0.81 SLC2A1 (0.38) SLC2A1ALDH1A1HPGDLMNACYP2D6
SCHEMBL9538259 0.78 SLC2A1 (0.40) SLC2A1ALDH1A1CYP2D6KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP claimed
EP-0183439-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-02-03 EP disclosed
US-5075455-A Microbiocides, antitumor agents BURROUGHS WELLCOME CO. (US) 1991-12-24 US disclosed
US-5049581-A Dibenzofurans having anti-tumor activity BURROUGHS WELLCOME CO. (US) 1991-09-17 US disclosed
US-5017600-A Antitumor BURROUGHS WELLCOME CO. (US) 1991-05-21 US disclosed
US-5008286-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-04-16 US disclosed
US-4970227-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1990-11-13 US disclosed
US-4965285-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-10-23 US disclosed
US-4866070-A ANTITUMOR AGENT BURROUGHS WELLCOME CO. (US) 1989-09-12 US disclosed
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP disclosed