SCHEMBL9011956

SCHEMBL9011956

Cc1ccc(C)c(OCCC(N)C(C)(C)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
PPARA Q07869 3/20 0.60
CYP2C9 P11712 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP2C8 P10632 2/20 0.60
TTR P02766 1/20 0.60
CYP1A2 P05177 1/20 0.60
CHRM1 P11229 1/20 0.60
ADRA1A P35348 1/20 0.60
PPARG P37231 1/20 0.60
HTR2B P41595 1/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
CISD1 Q9NZ45 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44

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
SCHEMBL9248942 0.85 TSHR (0.61) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL9011774 0.85 TSHR (0.61) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL9012050 0.83 TSHR (0.59) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL28130004 0.83 TSHR (0.59) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL9012195 0.81 TSHR (0.56) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL30858732 0.81 TSHR (0.56) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL9011794 0.81 TSHR (0.56) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL28129999 0.80 TSHR (0.55) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL9012199 0.76 TSHR (0.56) TSHRPPARACYP2C9TDP1SMN1; SMN2
SCHEMBL21992001 0.76 PPARA (0.86) TSHRPPARACYP2C9TDP1SMN1; SMN2

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
US-5530145-A ANTICHOLESTEROL AGENTS SYN-TECH CHEM & PHARM CO., LTD. (TW) 1996-06-25 US disclosed