SCHEMBL9844634

SCHEMBL9844634

CCC(C)OC(COC)Nc1nc(N)nc(N)n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.32
DHFR P00374 2/20 0.32
DCPS Q96C86 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 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
SCHEMBL8469216 0.80 CDK1 (0.34) HTR7ADRA1DADRA1AADRA1BMEN1
SCHEMBL8468941 0.78 HTR7 (0.33) HTR7DHFRDCPSADRA1DADRA1A
SCHEMBL8523821 0.76 KCNH2 (0.33) HTR7ADRA1DADRA1AADRA1BCDK1
SCHEMBL11023493 0.74 CYP2D6 (0.33)
SCHEMBL6754311 0.69 CYP2D6 (0.35) HTR7ADRA1DADRA1AADRA1BMEN1
SCHEMBL10059800 0.69 L3MBTL1 (0.47) HTR7ADRA1DADRA1AADRA1BMEN1
SCHEMBL29192707 0.67 NPC1 (0.33) HTR7ADRA1DADRA1AADRA1BMEN1
Methoxymethane SCHEMBL27642128 0.67 NPC1 (0.31) HTR7ADRA1DADRA1AADRA1BMEN1
SCHEMBL11368962 0.67 TLR8 (0.38) HTR7
SCHEMBL15437963 0.67 LMNA (0.33) HTR7ADRA1DADRA1AADRA1B

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-0419051-A1 Thermosetting acrylic copolymers modified with citric esters McWHORTER TECHNOLOGIES, Inc. (US) 1991-03-27 EP disclosed
US-4972036-A PIGMENT GRINDING VEHICLES, VEHICLES FOR THERMOSETTING COATINGS HI-TEK POLYMERS, INC. (US) 1990-11-20 US disclosed