SCHEMBL16100137

SCHEMBL16100137

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(CO)nn2[C@H]1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CYP4F2 P78329 6/20 0.33
CYP4A11 Q02928 6/20 0.33
ATR Q13535 3/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TEAD1 P28347 1/20 0.31
TEAD4 Q15561 1/20 0.31
TEAD2 Q15562 1/20 0.31

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
SCHEMBL16100139 1.00 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL298676 0.85 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16100337 0.85 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16099890 0.84 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16099889 0.84 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29925580 0.84 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL26741104 0.84 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16100099 0.83 RXRA (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16100100 0.83 RXRA (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30242666 0.81 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11

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-2970220-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 WO disclosed