SCHEMBL28145754

SCHEMBL28145754

CCC(=O)SCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.51
CCR8 P51685 2/20 0.49
PTGES O14684 1/20 0.47
CYP1A2 P05177 2/20 0.47
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FDFT1 P37268 2/20 0.46
AKR1C3 P42330 1/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL45253 0.81 TDP1 (0.61) CYP2C19ALDH1A1TDP1
SCHEMBL17974306 0.79 ACHE (0.46) CYP1A2CYP2D6PPARGPPARATSHR
SCHEMBL31618736 0.78 FFAR1 (0.52) CETPCCR8PTGESTSHRHSD17B10
Hydrochloric Acid SCHEMBL17960767 0.78 ACHE (0.45) CYP1A2CYP2D6PPARGPPARATSHR
SCHEMBL10418763 0.76 CYP1A2 (0.73) PTGESCYP1A2NPC1CYP3A4CYP2D6
SCHEMBL11193556 0.76 CYP1A2 (0.52) CYP1A2NPC1CYP3A4CYP2D6CYP2C9
SCHEMBL29729966 0.75 MMP1 (0.56) CETPCCR8PTGESALDH1A1TDP1
SCHEMBL5407250 0.73 KDM4E (0.58) CETPPTGESTSHRHSD17B10ALDH1A1
SCHEMBL10106163 0.73 FDFT1 (0.53) CETPPTGESPPARGPPARAALDH1A1
SCHEMBL8694023 0.73 FFAR1 (0.54) CCR8PTGESPPARGPPARAALDH1A1

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-104662004-B Novel rebamipide prodrug, method for producing same, and usage thereof 三进制药株式会社 2017-04-19 CN disclosed