SCHEMBL21515076

SCHEMBL21515076

COC(=O)C1CCC(O)C(O)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 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
SCHEMBL765252 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL636662 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10476597 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2303457 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL637101 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL636682 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16840443 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24906947 0.84 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13738413 0.84 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2824374 0.84 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-2019202884-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ELEMENT, POLYMER, AND COMPOUND JSR株式会社 2019-10-24 — — WO disclosed
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