SCHEMBL14435506

SCHEMBL14435506

O=C(OCC(COC(=O)C1CC2C=CC1C2)(COC(=O)C1CC2C=CC1C2)COC(=O)[C@H]1CC2C=CC1C2)C1CC2C=CC1C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 10/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL899899 1.00 LMNA (0.47) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL17147581 0.95 ALDH1A1 (0.44) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL900051 0.92 ALDH1A1 (0.44) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL14449129 0.91 ALDH1A1 (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL899936 0.91 ALDH1A1 (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL23228322 0.87 ALDH1A1 (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL13819402 0.87 ALDH1A1 (0.45) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL4400475 0.87 ALDH1A1 (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL17616838 0.87 ALDH1A1 (0.45) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL14449005 0.87 ALDH1A1 (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007089801-A1 SOLID MATERIALS OBTAINABLE BY RING-OPENING METATHESIS POLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-08-09 WO disclosed