SCHEMBL6853710

SCHEMBL6853710

NC1C2CC3CC1CC(c1ccccc1C(=O)O)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 2/20 0.36
P2RX7 Q99572 3/20 0.35
EPHX2 P34913 3/20 0.35
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 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
SCHEMBL3103198 0.87 KDM4E (0.43) KDM4EHIF1AEPAS1ALDH1A1ALOX15
SCHEMBL5475249 0.86 KDM4E (0.53) KDM4EHIF1AEPAS1ALDH1A1ALOX15
SCHEMBL3123352 0.78 KDM4E (0.43) KDM4EHIF1AEPAS1ALDH1A1ALOX15
SCHEMBL2747082 0.77 KDM4E (0.47) KDM4EHIF1AEPAS1ALDH1A1ALOX15
SCHEMBL28197969 0.75 LMNA (0.47) KDM4EALDH1A1P2RX7MAPTHPGD
SCHEMBL15093129 0.75 ALDH1A1 (0.43) KDM4EHIF1AEPAS1ALDH1A1ALOX15
SCHEMBL4412220 0.75 GRIN2D (0.50) ALDH1A1EPHX2MAPTMEN1KMT2A
SCHEMBL5834020 0.73 KDM4E (0.51) KDM4EHIF1AEPAS1ALDH1A1ALOX15
SCHEMBL4309684 0.73 KDM4E (0.46) KDM4EHIF1AEPAS1ALDH1A1ALOX15
SCHEMBL3823755 0.72 KDM4E (0.43) KDM4EHIF1AEPAS1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1060160-A2 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) 2000-12-20 EP disclosed
WO-1999043636-A2 DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THESECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-02 WO disclosed