SCHEMBL28298764

SCHEMBL28298764

O=C(O)C1(C2CCCCC2)CCC2OC2C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.32
MAPK1 P28482 3/20 0.32
THPO P40225 3/20 0.32
PMP22 Q01453 3/20 0.32
TP53 P04637 2/20 0.32
NFKB1 P19838 2/20 0.32
GMNN O75496 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP2C19 P33261 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPP1CA P62136 1/20 0.32
TSHR P16473 3/20 0.31
TFPI2 P48307 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL36696 0.81 TFPI2 (0.34) LMNAMAPK1THPOPMP22TP53
SCHEMBL27759738 0.81 MAPT (0.36) LMNAMAPK1THPOPMP22NPSR1
SCHEMBL28323858 0.80
SCHEMBL9501569 0.78
SCHEMBL3839479 0.75 CYP3A4 (0.38) LMNAMAPK1THPOPMP22NPSR1
SCHEMBL11590884 0.74 CYP19A1 (0.30)
SCHEMBL11591593 0.74 TSHR (0.41) LMNAMAPK1THPOPMP22NPSR1
SCHEMBL27539663 0.74 TSHR (0.41) LMNAMAPK1THPOPMP22NPSR1
SCHEMBL7144067 0.73 CYP19A1 (0.34) LMNAMAPK1THPOPMP22TP53
SCHEMBL10938537 0.73 CYP3A4 (0.44) LMNAMAPK1THPOPMP22NPSR1

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
CN-109890895-A CROSSLINKABLE COMPOSITION AND CROSSLINKED PRODUCT 日本瑞翁株式会社 2019-06-14 CN disclosed