SCHEMBL7945321

SCHEMBL7945321

COC1CCN([S@+]([O-])c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
HTR2A P28223 1/20 0.38
EPHX2 P34913 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
FPR2 P25090 2/20 0.35
PROKR1 Q8TCW9 2/20 0.35
LIPE Q05469 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CCR6 P51684 1/20 0.34
BACE1 P56817 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
EPHX1 P07099 1/20 0.34
HCRTR1 O43613 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL7950089 1.00 CARM1 (0.39) CARM1PRMT6HTR2AEPHX2ALDH1A1
SCHEMBL7951369 0.92 CARM1 (0.37) CARM1PRMT6HTR2AEPHX2ALDH1A1
SCHEMBL7951343 0.83 SLC6A4 (0.46) HTR2AEPHX2SLC6A4SLC6A3EPHX1
SCHEMBL21613810 0.76 EPHX2 (0.45) HTR2AEPHX2MMP13MMP14
SCHEMBL7961313 0.74 SLC6A4 (0.45) CARM1PRMT6EPHX2ALDH1A1LIPE
SCHEMBL7950137 0.74 MEN1 (0.40) CARM1PRMT6ALDH1A1BACE1SLC6A4
SCHEMBL7949461 0.73 HSD11B1 (0.60) EPHX2FPR2PROKR1LIPEEPHX1
SCHEMBL20463333 0.73 HTR2B (0.60) ALDH1A1
SCHEMBL14699678 0.72 ALDH1A1 (0.65) CARM1PRMT6ALDH1A1TSHRBACE1
SCHEMBL7956021 0.72 CARM1 (0.40) CARM1PRMT6HTR2AEPHX2ALDH1A1

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
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed