SCHEMBL28080766

SCHEMBL28080766

O=C(CCS)OC1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP19A1 P11511 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 2/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL331525 0.92 NAAA (0.46) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL593981 0.92
SCHEMBL28080668 0.83 TSHR (0.36) NAAASMN1; SMN2CYP2C19CYP19A1TSHR
SCHEMBL5829801 0.82 NAAA (0.58) NAAASMN1; SMN2CYP2C19CYP19A1ALDH1A1
SCHEMBL25527241 0.81 NAAA (0.39) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL28305046 0.80 NAAA (0.53) NAAASMN1; SMN2GAAMAPTCYP19A1
SCHEMBL2818269 0.80 LMNA (0.42) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL21143357 0.79 EPHX2 (0.39) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL25475215 0.78 NAAA (0.40) NAAASMN1; SMN2CYP2C19TSHR
SCHEMBL14050389 0.78 MAPT (0.44) NAAASMN1; SMN2CYP2C19GAAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080177-B polyurethane with low volume shrinkage 科思创德国股份有限公司 2016-09-21 CN disclosed
CN-104011103-B Polymerisable compound, its optical goods obtained and the method producing described optical goods 三井化学株式会社 2016-08-24 CN disclosed
CN-105793737-A Polymerizable composition for optical materials 三井化学株式会社 2016-07-20 CN disclosed