SCHEMBL6139092

SCHEMBL6139092

CC(C)CCCCCCCCCCCC(=O)Oc1cccc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.44
POLK Q9UBT6 2/20 0.44
POLL Q9UGP5 2/20 0.44
POLH Q9Y253 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL11420384 0.89 POLM (0.48) POLMPOLKPOLLPOLHMEN1
SCHEMBL11419979 0.87 KMT2A (0.46) POLMPOLKPOLLPOLHMEN1
SCHEMBL16756216 0.86 MEN1 (0.50) POLMPOLKPOLLPOLHMEN1
SCHEMBL16756225 0.86 MEN1 (0.50) POLMPOLKPOLLPOLHMEN1
SCHEMBL16756207 0.86 MEN1 (0.50) POLMPOLKPOLLPOLHMEN1
SCHEMBL16756224 0.86 MEN1 (0.50) POLMPOLKPOLLPOLHMEN1
SCHEMBL9179143 0.85 POLM (0.59) POLMPOLKPOLLPOLHMEN1
SCHEMBL28309018 0.85 POLM (0.59) POLMPOLKPOLLPOLHMEN1
SCHEMBL11577818 0.85 POLM (0.59) POLMPOLKPOLLPOLHMEN1
SCHEMBL16756197 0.84 MEN1 (0.51) POLMPOLKPOLLPOLHMEN1

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
EP-1259470-A4 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2005-06-15 EP disclosed
EP-1259470-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD Yang, Zhenhua (US) 2002-11-27 EP disclosed
WO-2001059067-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2001-08-16 WO disclosed