SCHEMBL6435860

SCHEMBL6435860

O=Cc1cc(OC2CCCCO2)c2ccccc2c1OC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
PTPN1 P18031 5/20 0.36
PDE4B Q07343 2/20 0.34
MCL1 Q07820 1/20 0.33
GCGR P47871 1/20 0.33
SLC6A3 Q01959 2/20 0.33
P2RX3 P56373 1/20 0.32
DHFR P00374 1/20 0.32
POLB P06746 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
SCHEMBL5863691 0.81 ALDH1A1 (0.42) KDM4CPTPN1PDE4B
SCHEMBL6362992 0.79 KDM4C (0.42) KDM4CPTPN1PDE4BSLC6A3DHFR
SCHEMBL24373929 0.76 KDM4C (0.43) KDM4CPTPN1PDE4BSLC6A3P2RX3
SCHEMBL30918744 0.75 ALDH1A1 (0.40) KDM4CPTPN1PDE4BDHFR
SCHEMBL5773668 0.74 PTPN1 (0.40) PTPN1PDE4BPOLB
SCHEMBL9961901 0.74 KDM4E (0.43) PTPN1PDE4BSLC6A3
SCHEMBL10468410 0.74 PTPN1 (0.39) KDM4CPTPN1PDE4B
SCHEMBL6562646 0.74 PTPN1 (0.37) KDM4CPTPN1PDE4BGCGRDHFR
SCHEMBL21305297 0.74 PTGDR2 (0.42) PTPN1PDE4BPOLB
SCHEMBL30705020 0.74 PDE4B (0.39) PTPN1PDE4BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943191-B1 Disubstituted lavendustin A analogs and pharmaceutical composition comprising the analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-13 US disclosed
EP-1367046-A9 Disubstituted lavendustin A analogs and pharmaceutical compositions comprising the analogs THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-05-12 EP disclosed
EP-1367046-A1 Disubstituted lavendustin A analogs and pharmaceutical compositions comprising the analogs THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-12-03 EP disclosed