SCHEMBL28811106

SCHEMBL28811106

O=S(=O)(O)CCCCCCCCCCCCOCC1CO1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
APP P05067 1/20 0.32
SPHK2 Q9NRA0 4/20 0.32
SPHK1 Q9NYA1 4/20 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
SCHEMBL18121990 0.93 TSHR (0.61) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL28067509 0.86 TSHR (0.67) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL29206277 0.85 TSHR (0.54) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL890477 0.81 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL20543294 0.81 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL23668239 0.81 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL12805060 0.81 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL21834095 0.81 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL15215 0.81 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL15084995 0.81 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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
CN-107841316-B Spontaneous alignment assistant for liquid crystal composition DIC株式会社 2022-07-12 CN disclosed