SCHEMBL2022798

SCHEMBL2022798

COc1ccc(-c2c(C)[nH]c(C)c2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
AR P10275 1/20 0.44
ALPL P05186 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.43
NR4A2 P43354 1/20 0.42

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
SCHEMBL7772483 0.81 LMNA (0.70) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL2024165 0.80 LMNA (0.51) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL13280038 0.80 KMT2A (0.51) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL6464286 0.79 KMT2A (0.50) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL17747485 0.79 ALDH1A1 (0.76) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL29408315 0.78 SMN1; SMN2 (0.44) ALDH1A1KMT2APOLBGAASMN1; SMN2
SCHEMBL4918939 0.76 KMT2A (0.48) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL6465905 0.75 ALDH1A1 (0.75) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL6465337 0.75 KMT2A (0.72) ALDH1A1KMT2APOLBLMNAGAA
SCHEMBL9639864 0.75 GFER (0.52) ALDH1A1KMT2APOLBLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512466-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN Activesite Pharmaceuticals, Inc. (US) 2012-10-24 EP disclosed
WO-2011075684-A1 PRODRUGS OF INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed