SCHEMBL11261238

SCHEMBL11261238

CC(=O)OCCCCOC(=O)c1cc(Br)c(N)c(CN2CCOCC2)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ PKM P14618 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CASR P41180 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35

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
SCHEMBL11270416 0.99 EPHX2 (0.40) EPHX2POLBL3MBTL1TP53EGFR
SCHEMBL11269348 0.97 EPHX2 (0.40) EPHX2POLBL3MBTL1TP53EGFR
SCHEMBL11266856 0.93 SLC29A1 (0.40) POLBPKMNPSR1KMT2AALDH1A1
SCHEMBL11258128 0.92 SLC29A1 (0.40) POLBPKMKMT2AALDH1A1SLC29A1
SCHEMBL11262800 0.92 SLC29A1 (0.39) PKMNPSR1KMT2AALDH1A1SLC29A1
SCHEMBL11262907 0.90 SLC29A1 (0.38) POLBPKMNPSR1KMT2ASLC29A1
SCHEMBL11255897 0.89 HPGD (0.38) PKMNPSR1KMT2ASLC29A1
Benzophenone SCHEMBL11266752 0.85 L3MBTL1 (0.41) POLBL3MBTL1KDM4EPKMGAA
SCHEMBL11261228 0.84 TTR (0.44) EPHX2GAAKMT2AHIF1A
SCHEMBL11154964 0.84 TTR (0.43) EPHX2GAAKMT2AHIF1A

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-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
Send feedback