SCHEMBL28080668

SCHEMBL28080668

O=C(CS)OC1CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAAA Q02083 2/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 5/20 0.33
HTT P42858 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15921260 0.91
SCHEMBL331246 0.91 TSHR (0.42) TSHRHSD17B10NAAACYP2C19CYP19A1
SCHEMBL28080766 0.83 NAAA (0.41) TSHRNAAACYP2C19CYP19A1HTT
SCHEMBL21143357 0.82 EPHX2 (0.39) NAAACYP2C19CYP19A1HTTAPOBEC3A
SCHEMBL4679989 0.82 NAAA (0.50) TSHRHSD17B10NAAACYP2C19CYP19A1
SCHEMBL11600264 0.81 CYP19A1 (0.50) TSHRHSD17B10NAAACYP2C19CYP19A1
SCHEMBL1405464 0.80 CYP2C19 (0.53) TSHRHSD17B10NAAACYP2C19CYP19A1
SCHEMBL28335591 0.80 CYP2C19 (0.53) TSHRHSD17B10NAAACYP2C19CYP19A1
SCHEMBL25527391 0.79 PLG (0.41) TSHRHSD17B10NAAACYP2C19CYP19A1
SCHEMBL13632536 0.78 NAAA (0.43) TSHRHSD17B10NAAACYP2C19CYP19A1

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
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