SCHEMBL11262907

SCHEMBL11262907

CC(=O)OCCOC(=O)c1cc(Br)c(N)c(CN2CCCC2)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TRPV1 Q8NER1 6/20 0.36
▸ HTR4 Q13639 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ FAAH O00519 1/20 0.34

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
SCHEMBL11255897 0.99 HPGD (0.38) SLC29A1HPGDTRPV1HTR4PKM
SCHEMBL11266856 0.97 SLC29A1 (0.40) SLC29A1HPGDTRPV1HTR4PKM
SCHEMBL11258128 0.96 SLC29A1 (0.40) SLC29A1HPGDTRPV1HTR4PKM
SCHEMBL11262800 0.95 SLC29A1 (0.39) SLC29A1HPGDTRPV1HTR4PKM
SCHEMBL11269348 0.93 EPHX2 (0.40) POLBKMT2ANPSR1
SCHEMBL11261238 0.90 EPHX2 (0.40) SLC29A1PKMPOLBKMT2ANPSR1
SCHEMBL11270416 0.89 EPHX2 (0.40) SLC29A1PKMPOLBKMT2ANPSR1
SCHEMBL11260654 0.85 HPGD (0.33) HPGDKMT2A
Benzophenone SCHEMBL11271308 0.83 LTA4H (0.39) SLC29A1PKMKMT2ANPSR1
SCHEMBL11266928 0.83 TSHR (0.36) KMT2ANPSR1

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
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