SCHEMBL23286972

SCHEMBL23286972

COC(=O)c1ccc(N)c(NCC2CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.63
HDAC1 Q13547 1/20 0.49
LNPEP Q9UIQ6 5/20 0.48
ERAP2 Q6P179 2/20 0.48
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL27478656 0.95 PTGER4 (0.57) PTGER4HDAC1LNPEPERAP2KDM4E
SCHEMBL3998365 0.89 PTGER4 (0.79) PTGER4LNPEPERAP2KDM4EALDH1A1
SCHEMBL27110998 0.88 PTGER4 (0.50) PTGER4HDAC1LNPEPERAP2KDM4E
SCHEMBL24900042 0.86 PTGER4 (0.49) PTGER4HDAC1LNPEPERAP2KDM4E
SCHEMBL24900141 0.86 PTGER4 (0.49) PTGER4HDAC1LNPEPERAP2KDM4E
SCHEMBL25734417 0.86 PTGER4 (0.49) PTGER4HDAC1LNPEPERAP2KDM4E
SCHEMBL23286895 0.84 PTGER4 (0.46) PTGER4HDAC1LNPEPERAP2KDM4E
SCHEMBL29491456 0.84 KMT2A (0.46) PTGER4HDAC1LNPEPERAP2KDM4E
SCHEMBL20288191 0.84 KMT2A (0.46) PTGER4HDAC1LNPEPERAP2KDM4E
SCHEMBL29825443 0.84 KMT2A (0.46) PTGER4HDAC1LNPEPERAP2KDM4E

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-2021081207-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-04-29 WO disclosed