SCHEMBL9192578

SCHEMBL9192578

O=C(O)CCCCCNC(=O)C1CC[CH]CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.50
EPHX1 P07099 1/20 0.48
NAAA Q02083 1/20 0.47
ADRA1A P35348 1/20 0.47
MAPK1 P28482 1/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
EPHX2 P34913 3/20 0.43
ALOX5 P09917 1/20 0.43
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAMPT P43490 1/20 0.41
PLA2G2A P14555 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL9830399 0.88 PRMT1 (0.59) PRMT1EPHX1NAAAADRA1AMAPK1
SCHEMBL9831902 0.85 NAAA (0.60) PRMT1EPHX1NAAAADRA1AMAPK1
SCHEMBL9830181 0.85 NAAA (0.65) PRMT1EPHX1NAAAADRA1AMAPK1
SCHEMBL5655426 0.83 NAAA (0.68) PRMT1EPHX1NAAAADRA1AMAPK1
SCHEMBL7897834 0.83 NAAA (0.68) PRMT1EPHX1NAAAADRA1AMAPK1
SCHEMBL9831292 0.83 NAAA (0.62) PRMT1EPHX1NAAAADRA1AMAPK1
SCHEMBL9829575 0.81 NAAA (0.65) PRMT1EPHX1NAAAADRA1AGNAI3
SCHEMBL2331473 0.81 EPHX2 (0.51) PRMT1EPHX1NAAAADRA1AGNAI3
SCHEMBL13618531 0.81 ADRA1A (0.51) PRMT1EPHX1NAAAADRA1AMAPK1
SCHEMBL5902012 0.78 NAAA (0.59) PRMT1EPHX1NAAAGNAI3GNAO1

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-0585310-A4 CROSSTALK INHIBITORS AND THEIR USES. BIOSITE DIAGNOSTICS INC (US) 1995-06-14 EP disclosed
EP-0585310-A1 CROSSTALK INHIBITORS AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1994-03-09 EP disclosed