Sugi Predict

Sugi Predict / Compounds / SCHEMBL28533840

SCHEMBL28533840

SCHEMBL28533840

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCCC(CC)C(O)O.[Ti+4]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CA2 P00918 8/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CA1 P00915 5/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ GPR84 Q9NQS5 2/20 0.31

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
SCHEMBL423728 0.89 ALDH1A1 (0.44) TSHRALDH1A1CA2LMNAMAPK1
SCHEMBL12209116 0.89 ALDH1A1 (0.44) TSHRALDH1A1CA2LMNAMAPK1
SCHEMBL7087169 0.86 ALDH1A1 (0.42) TSHRALDH1A1CA2LMNAMAPK1
SCHEMBL8664589 0.86 ALDH1A1 (0.42) TSHRALDH1A1CA2LMNAMAPK1
SCHEMBL8368030 0.81 GPR84 (0.43) LMNASPHK1GPR84
SCHEMBL21551886 0.79 GPR84 (0.46) LMNASPHK1GPR84
SCHEMBL21552166 0.79 GPR84 (0.46) LMNASPHK1GPR84
SCHEMBL11423021 0.78 LMNA (0.45) ALDH1A1CA2LMNAMAPK1CA1
SCHEMBL18664275 0.77 ALDH1A1 (0.42) TSHRALDH1A1CA2LMNAMAPK1
SCHEMBL3093612 0.77 ALDH1A1 (0.42) TSHRALDH1A1CA2LMNAMAPK1

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-108276412-B Glycolurils having glycidyl group and use thereof 四国化成工业株式会社 2021-02-02 — — CN disclosed