SCHEMBL9526392

SCHEMBL9526392

CC(CO)(CO)NCc1cccc2oc3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
SLC2A1 P11166 1/20 0.41
CDC14B O60729 1/20 0.38
CDC14A Q9UNH5 1/20 0.38
EGFR P00533 1/20 0.36
IGF1R P08069 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAOA P21397 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP1A2 P05177 3/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 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 SCHEMBL9524563 0.99 ADRB2 (0.43) ADRB2SLC2A1CDC14BCDC14AEGFR
SCHEMBL9779023 0.90 SLC2A1 (0.42) ADRB2SLC2A1CDC14BCDC14AEGFR
SCHEMBL9536568 0.85 SLC2A1 (0.49) ADRB2SLC2A1CDC14BCDC14AKDM4E
SCHEMBL9778953 0.85 SLC2A1 (0.50) ADRB2SLC2A1CDC14BCDC14AEGFR
SCHEMBL9466773 0.83 SLC2A1 (0.48) SLC2A1CD274CYP1A2HPGDNPC1
Hydrochloric Acid SCHEMBL9466085 0.82 SLC2A1 (0.47) SLC2A1CD274CYP1A2HPGDNPC1
SCHEMBL9779167 0.81 SLC2A1 (0.41) ADRB2SLC2A1EGFRIGF1RFLT4
SCHEMBL7497862 0.81 SMN1; SMN2 (0.37) ADRB2SLC2A1KDM4ECYP1A2MAPT
SCHEMBL9536967 0.80 SLC2A1 (0.58) ADRB2SLC2A1CDC14BCDC14AKDM4E
Hydrochloric Acid SCHEMBL9843519 0.80 SMN1; SMN2 (0.36) ADRB2SLC2A1KDM4ECYP1A2MAPT

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
US-5049581-A Dibenzofurans having anti-tumor activity BURROUGHS WELLCOME CO. (US) 1991-09-17 US claimed
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