SCHEMBL5908089

SCHEMBL5908089

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C8 P10632 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA1A P35348 1/20 0.42
PPARG P37231 1/20 0.42
HTR2B P41595 1/20 0.42
PPARA Q07869 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
CISD1 Q9NZ45 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ABCB1 P08183 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL26724900 0.82 TSHR (0.47) TDP1TSHRSMN1; SMN2KDM4EABCB1
SCHEMBL13951307 0.78 ALDH1A1 (0.50) TDP1TSHRSMN1; SMN2KDM4ECSNK2A1
SCHEMBL11078865 0.78 PTPN11 (0.52) TDP1TSHRSMN1; SMN2KDM4ECSNK2A1
SCHEMBL1505121 0.77 KDM4E (0.52) TDP1TSHRSMN1; SMN2KDM4ECSNK2A1
SCHEMBL11774385 0.77 PTPN11 (0.58) TDP1TSHRSMN1; SMN2KDM4ECSNK2A1
SCHEMBL20521893 0.77 TSHR (0.50) TDP1TSHRSMN1; SMN2KDM4ECSNK2A1
SCHEMBL4277471 0.77 ABCB1 (0.52) ABCB1CSNK2A1ALDH1A1MAPT
SCHEMBL26724571 0.76 ABCB1 (0.52) TDP1TSHRSMN1; SMN2CYP1A2KDM4E
SCHEMBL11775746 0.76 PTPN11 (0.64) TSHRSMN1; SMN2HTR2BKDM4EHTT
SCHEMBL26724570 0.75 CYP1A2 (0.48) TDP1TSHRSMN1; SMN2CYP1A2KDM4E

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-20060024601-A1 Electrophotographic toner SHARP KABUSHIKI KAISHA (JP) 2006-02-02 US disclosed