SCHEMBL9865045

SCHEMBL9865045

COC=C(C(=O)OC)N(C)c1cccc(-c2ccc(C)c(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
CTSA P10619 1/20 0.37
CNR1 P21554 5/20 0.36
MPL P40238 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B14 Q9BPX1 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33

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
SCHEMBL9865037 1.00 HSD17B1 (0.37) HSD17B1HSD17B2CTSACNR1MPL
SCHEMBL9866708 0.86 CNR1 (0.40) CNR1KDM4E
SCHEMBL9399353 0.85 USP30 (0.43) CNR1MEN1KMT2AKDM4EGAA
SCHEMBL7527226 0.85 USP30 (0.43) CNR1MEN1KMT2AKDM4EGAA
SCHEMBL9865578 0.84 CNR1 (0.45) CNR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8737258 0.84 CNR1 (0.45) CNR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9163369 0.84 CNR1 (0.45) CNR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9158184 0.76 CLK1 (0.38) ALDH1A1
SCHEMBL9865275 0.76 CLK1 (0.38) ALDH1A1
SCHEMBL8734918 0.76 CLK1 (0.38) ALDH1A1

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
US-5008275-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US claimed