SCHEMBL27952201

SCHEMBL27952201

Cc1ccc(N)c(N(S)CCCC(C)(C)OC(N)=O)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C8 P10632 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ADRA1A P35348 1/20 0.32
PPARG P37231 1/20 0.32
HTR2B P41595 1/20 0.32
PPARA Q07869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
HPGD P15428 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
SCHEMBL27940136 0.83 KDM4E (0.37) TSHR
SCHEMBL28775470 0.73 GUCY1A1 (0.36) TTRCYP1A2CYP2C8CHRM1CYP2C9
SCHEMBL891297 0.73 CA1 (0.39) TDP1HPGD
SCHEMBL4948565 0.70 HTT (0.40) TSHRSMN1; SMN2TDP1HPGD
SCHEMBL27767913 0.68 ALDH1A1 (0.37) TTRCYP1A2CYP2C8CHRM1CYP2C9
SCHEMBL1081857 0.67 AAK1 (0.31) SMN1; SMN2TDP1
SCHEMBL27673016 0.67 ALDH1A1 (0.41) CYP2C9
SCHEMBL17102731 0.66 SMN1; SMN2 (0.39) CYP2C9TSHRSMN1; SMN2TDP1
SCHEMBL28745434 0.65 CHRM2 (0.51) SMN1; SMN2
SCHEMBL28212417 0.64 LMNA (0.34)

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-101420942-B Small-molecule modulators of TRP-P8 activity DENDREON CORP 2014-03-12 CN disclosed