SCHEMBL21398845

SCHEMBL21398845

COCCOCCOCC(COCc1ccccc1)OCCOCCOC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TACR1 P25103 3/20 0.41
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC1A1 P43005 1/20 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
SCHEMBL1217267 1.00 TSHR (0.42) TSHRCA1CA2CA7CA9
SCHEMBL21398746 1.00 TSHR (0.42) TSHRCA1CA2CA7CA9
SCHEMBL10038814 0.98 TSHR (0.44) TSHRCA1CA2CA7CA9
SCHEMBL9972154 0.95 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL4820202 0.91 PLA2G10 (0.45) TSHRCA1CA2CA7CA9
SCHEMBL25837482 0.85 PLA2G10 (0.47) TSHRCA1CA2CA7CA9
SCHEMBL12098149 0.84 CA1 (0.45) TSHRCA1CA2CA7CA9
SCHEMBL9575373 0.82 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL16758749 0.82 CHRNB2 (0.36) TSHRCA1CA2CA7CA9
SCHEMBL10711167 0.81 TSHR (0.58) TSHRCA1CA2CA7CA9

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-2019181984-A1 BRANCHED MONODISPERSED POLYETHYLENE GLYCOL, INTERMEDIATE, AND METHOD FOR PRODUCING SAME 日油株式会社 2019-09-26 WO disclosed