SCHEMBL11563271

SCHEMBL11563271

CCOC(=O)C1(C(=O)OC(C)(C)C)Cc2cc(OC)c(OC)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
KCNK3 O14649 1/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CNR2 P34972 2/20 0.35
POLB P06746 1/20 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
SCHEMBL16836002 0.87 MEN1 (0.36) ALDH1A1KDM4EKMT2AGAAHPGD
SCHEMBL11564129 0.83 KDM4E (0.44) ALDH1A1KDM4EKMT2ALMNAKCNK3
SCHEMBL3633908 0.82 BRD4 (0.46) ALDH1A1KDM4EKMT2ALMNACYP2C19
SCHEMBL12718645 0.75 BRD4 (0.39) LMNAPOLBMAPT
SCHEMBL14920868 0.74 OPRM1 (0.37) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL9781696 0.74 CYP3A4 (0.45) ALDH1A1KDM4EKMT2AMTNR1AMTNR1B
SCHEMBL7822746 0.74 L3MBTL1 (0.38) KMT2AMEN1
SCHEMBL30840609 0.74 APP (0.41) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL10924592 0.73 KDM4E (0.43) ALDH1A1KDM4EKMT2ALMNAKCNK3
SCHEMBL30267475 0.73 OPRM1 (0.40) ALDH1A1POLB

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
US-4152527-A 15-Substituted-ω-pentanorprostaglandins PFIZER INC. (US) 1979-05-01 US disclosed