SCHEMBL16100337

SCHEMBL16100337

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 6/20 0.36
CYP4A11 Q02928 6/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PREP P48147 2/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
RET P07949 2/20 0.31
ATR Q13535 2/20 0.31
DRD1 P21728 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
SCHEMBL298676 1.00 CYP4F2 (0.36) CYP4F2CYP4A11CA12CA1CA9
SCHEMBL16100099 0.85 RXRA (0.33) CYP4F2CYP4A11CA12CA1CA9
SCHEMBL16100100 0.85 RXRA (0.33) CYP4F2CYP4A11CA12CA1CA9
SCHEMBL27031973 0.85 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29925776 0.85 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL16100137 0.85 RXRA (0.37) CYP4F2CYP4A11CA12CA1CA9
SCHEMBL16100139 0.85 RXRA (0.37) CYP4F2CYP4A11CA12CA1CA9
SCHEMBL26741104 0.85 RXRA (0.35) CYP4F2CYP4A11CA12CA1CA9
SCHEMBL29925580 0.85 RXRA (0.35) CYP4F2CYP4A11CA12CA1CA9
SCHEMBL16099889 0.83 RXRA (0.38) CYP4F2CYP4A11CA12CA1CA9

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