SCHEMBL7117758

SCHEMBL7117758

CCOC(=O)C1=C(OCC)C2CCC1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL5429764 0.85 LMNA (0.47) LMNAKDM4EGAAPOLBTSHR
SCHEMBL2328254 0.85 LMNA (0.47) LMNAKDM4EGAAPOLBTSHR
SCHEMBL5179724 0.79 KDM4E (0.42) LMNAKDM4EGAAPOLBTSHR
SCHEMBL31296900 0.77 LMNA (0.50) LMNAKDM4EGAAPOLBTSHR
SCHEMBL10397354 0.73 LMNA (0.38) LMNAKDM4EGAAPOLBTSHR
SCHEMBL27208668 0.71 ALDH1A1 (0.46) LMNAKDM4EPOLBTSHRALDH1A1
SCHEMBL27208672 0.68 TSHR (0.49) LMNATSHRALDH1A1TP53HPGD
SCHEMBL29391322 0.68 TSHR (0.50) LMNAKDM4EGAAPOLBTSHR
SCHEMBL20924927 0.67 NPSR1 (0.36) GAAALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL25314403 0.66 TSHR (0.41) LMNAKDM4EGAAPOLBTSHR

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
US-20030078354-A1 Novel beta-oxo compounds and their use in photoresist ARCH SPECIALTY CHEMICALS, INC. (US) 2003-04-24 US claimed
WO-2002068527-A2 NOVEL β-OXO COMPOUNDS AND THEIR USE IN PHOTORESIST ARCH SPECIALTY CHEMICALS, INC. (US) 2002-09-06 WO claimed
US-20030078354-A1 Novel beta-oxo compounds and their use in photoresist ARCH SPECIALTY CHEMICALS, INC. (US) 2003-04-24 US disclosed
WO-2002068527-A2 NOVEL β-OXO COMPOUNDS AND THEIR USE IN PHOTORESIST ARCH SPECIALTY CHEMICALS, INC. (US) 2002-09-06 WO disclosed