Sugi Predict

Sugi Predict / Compounds / SCHEMBL5823623

SCHEMBL5823623

SCHEMBL5823623

C=CCC(CO)NC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CPA1 P15085 1/20 0.32
▸ TGM2 P21980 1/20 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
SCHEMBL28679718 0.89 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL275353 0.87 TSHR (0.52) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL22469164 0.81 CPA1 (0.37) TSHRCYP2C19CNR1CPA1
SCHEMBL2370207 0.81 CPA1 (0.37) TSHRCYP2C19CNR1CPA1
SCHEMBL21909974 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL2938364 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL22035779 0.78 TSHR (0.43) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL12323325 0.78 TSHR (0.43) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL10783218 0.77 TSHR (0.39) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL6251762 0.76 TAS1R3 (0.49) TSHRALDH1A1MAPK1TDP1CYP2C19

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-2006093777-A1 SILANOL BASED DENTAL TREATMENT KANCA, JOHN, III (US) 2006-09-08 — — WO disclosed