SCHEMBL23033613

SCHEMBL23033613

OCNCCCCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ S1PR2 O95136 1/20 0.57
▸ S1PR4 O95977 1/20 0.57
▸ S1PR1 P21453 1/20 0.57
▸ S1PR3 Q99500 1/20 0.57

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
SCHEMBL6263723 0.94 SIGMAR1 (0.75) SIGMAR1
SCHEMBL8084220 0.87 SIGMAR1 (0.95) SIGMAR1L3MBTL1
SCHEMBL27456705 0.86 SIGMAR1 (0.77) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL26985759 0.86 SIGMAR1 (0.77) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL4819795 0.86 SIGMAR1 (0.77) SIGMAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL9819849 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9819797 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL5226075 0.85 SIGMAR1 (0.61) SIGMAR1
SCHEMBL9819830 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9655857 0.85 SIGMAR1 (1.00) SIGMAR1

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-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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