SCHEMBL7576133

SCHEMBL7576133

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ PPARA Q07869 3/20 0.37
▸ FDPS P14324 2/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TTR P02766 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ SLCO1B3 Q9NPD5 1/20 0.37
▸ CISD1 Q9NZ45 1/20 0.37
▸ SLCO1B1 Q9Y6L6 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ GGPS1 O95749 1/20 0.37
▸ GSTO1 P78417 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35

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
SCHEMBL6247287 0.80 TSHR (0.51) TSHRPPARATDP1SMN1; SMN2TTR
SCHEMBL10604810 0.78 PTPN2 (0.38) CYP1A2ALDH1A1HTTPTPN2PTPN1
SCHEMBL3577979 0.77 PTPN2 (0.37) ALDH1A1PTPN2PTPN1CDC25B
SCHEMBL3575731 0.77 PTPN2 (0.37) ALDH1A1PTPN2PTPN1CDC25B
SCHEMBL22435423 0.77 TSHR (0.43) TSHRPPARATDP1SMN1; SMN2TTR
SCHEMBL9498085 0.76 S1PR3 (0.51) TSHRPPARATDP1SMN1; SMN2TTR
SCHEMBL14542091 0.76 S1PR3 (0.51) TSHRPPARATDP1SMN1; SMN2TTR
SCHEMBL7525322 0.76 L3MBTL1 (0.42) TSHRPPARATDP1SMN1; SMN2TTR
SCHEMBL3745001 0.74 HPGD (0.44) TSHRPPARATDP1SMN1; SMN2TTR
SCHEMBL25045972 0.73 MEN1 (0.48) TSHRSMN1; SMN2ATMHTTPOLB

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-2002100975-A2 (ELECTRO)LUMINESCENT DEVICE WITH AN ORGANIC DYE AS AN ACCEPTOR KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2002-12-19 — — WO disclosed
Send feedback