SCHEMBL22358906

SCHEMBL22358906

COCCCCCOC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 5/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
LMNA P02545 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
HTR1A P08908 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRNA7 P36544 1/20 0.46
ALOX15 P16050 1/20 0.44
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NAAA Q02083 1/20 0.40
CYP3A4 P08684 1/20 0.38
EPHX1 P07099 1/20 0.38
ACHE P22303 6/20 0.36

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
SCHEMBL4601154 0.93
SCHEMBL2139712 0.87 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL5721434 0.87 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL2136844 0.87 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL2746089 0.87 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL2059697 0.87 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL5721317 0.87 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL31296577 0.87 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL2136691 0.87 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
Ammonia Solution, Strong SCHEMBL322522 0.85 LMNA (0.48) ALDH1A1TSHRCHRM2CHRM4CHRM5

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
WO-2020167518-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-08-20 WO disclosed
CN-102197023-B Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-12-16 CN disclosed