SCHEMBL16099889

SCHEMBL16099889

COC(=O)c1nn([C@H]2CCCCO2)c2ccc(O[Si](C)(C)C(C)(C)C)cc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HTR3A P46098 3/20 0.36
ELANE P08246 7/20 0.35
ATR Q13535 2/20 0.34
DGAT2 Q96PD7 1/20 0.32
PLA2G2A P14555 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
CTRB1 P17538 1/20 0.32
PREP P48147 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 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
SCHEMBL16099890 1.00 RXRA (0.38) RXRARXRBRXRGHTR3AELANE
SCHEMBL16100137 0.84 RXRA (0.37) RXRARXRBRXRGATRPLA2G2A
SCHEMBL16100139 0.84 RXRA (0.37) RXRARXRBRXRGATRPLA2G2A
SCHEMBL14792743 0.84 RXRA (0.39) RXRARXRBRXRGELANEATR
SCHEMBL6502931 0.84 ELANE (0.51) RXRARXRBRXRGELANEATR
SCHEMBL29593200 0.84 ELANE (0.51) RXRARXRBRXRGELANEATR
SCHEMBL298676 0.83 CYP4F2 (0.36) RXRARXRBRXRGATRCYP4F2
SCHEMBL16100337 0.83 CYP4F2 (0.36) RXRARXRBRXRGATRCYP4F2
SCHEMBL16125889 0.83 ELANE (0.41) RXRARXRBRXRGELANEATR
SCHEMBL31005998 0.83 RXRA (0.39) RXRARXRBRXRGELANEATR

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