SCHEMBL11564129

SCHEMBL11564129

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
KCNK3 O14649 1/20 0.40
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 3/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 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
SCHEMBL16836056 0.86 OPRM1 (0.39) KDM4EKMT2AGAAHPGDMEN1
SCHEMBL11561345 0.84 CYP3A4 (0.46) ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL11563271 0.83 ALDH1A1 (0.42) KDM4ELMNAALDH1A1KMT2AKCNK3
SCHEMBL3309675 0.80 BRD4 (0.50) LMNAALDH1A1KMT2AGAAHPGD
SCHEMBL10924592 0.78 KDM4E (0.43) KDM4ELMNAALDH1A1KMT2AKCNK3
SCHEMBL11358343 0.77 ACHE (0.43) LMNAALDH1A1KMT2AGAAHPGD
SCHEMBL12718645 0.76 BRD4 (0.39) LMNAPOLBMAPTSLC22A1SLC6A4
SCHEMBL4288622 0.75 POLB (0.42) KDM4ELMNAALDH1A1KMT2AGAA
SCHEMBL9781696 0.75 CYP3A4 (0.45) KDM4EALDH1A1KMT2ACYP2C19CYP1A2
SCHEMBL7828042 0.74 KDM4E (0.41) KDM4ELMNAALDH1A1KMT2AKCNK3

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