SCHEMBL18713337

SCHEMBL18713337

O=C(O)Cn1c2c(c(=O)c3ccccc31)C=CCC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ PTGDR2 Q9Y5Y4 7/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ APEX1 P27695 1/20 0.44
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ PTGER2 P43116 1/20 0.42
▸ PTGDR Q13258 1/20 0.42

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
SCHEMBL103368 0.83 ABCB1 (0.40) GLAKDM4E
SCHEMBL15149266 0.83 ALDH1A1 (0.55) GLAKDM4E
Cridanimod SCHEMBL3372087 0.75 GLA (1.00) GLAKDM4EMEN1CASP1CASP7
Cridanimod SCHEMBL29373385 0.75 GLA (1.00) GLAKDM4EMEN1CASP1CASP7
Cridanimod SCHEMBL3801665 0.75 GLA (1.00) GLAKDM4EMEN1CASP1CASP7
Cridanimod SCHEMBL3375823 0.74 GLA (0.96) GLAKDM4EMEN1CASP1CASP7
Cridanimod SCHEMBL3375819 0.74 GLA (0.96) GLAKDM4EMEN1CASP1CASP7
Cridanimod SCHEMBL27895128 0.74 GLA (0.96) GLAKDM4EMEN1CASP1CASP7
SCHEMBL19393423 0.72 P2RX4 (0.40) —
SCHEMBL26407841 0.71 KDM4E (0.47) KDM4EMEN1CASP1CASP7KMT2A

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
US-20190300947-A1 DNA SEQUENCING BY NANOPORE USING MODIFIED NUCLEOTIDES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-10-03 — — US disclosed
US-20170096704-A1 DNA SEQUENCING BY NANOPORE USING MODIFIED NUCLEOTIDES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-04-06 — — US disclosed
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