SCHEMBL5266458

SCHEMBL5266458

Cc1ccc(C)c(OCCCOc2cc(C)ccc2C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.70
TDP1 Q9NUW8 2/20 0.60
CYP2C9 P11712 2/20 0.60
PPARA Q07869 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TTR P02766 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C8 P10632 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
POLB P06746 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL5929495 0.93 TSHR (0.67) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL89387 0.92 TSHR (0.62) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL20006078 0.90 TSHR (0.60) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL10241943 0.90 TSHR (0.64) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL13697 0.88 TSHR (0.62) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL13475545 0.88 TSHR (0.62) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL5223212 0.88 TSHR (0.62) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL8302732 0.88 TSHR (0.67) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL172302 0.87 TSHR (0.61) TSHRTDP1CYP2C9PPARASMN1; SMN2
SCHEMBL6738557 0.86 TSHR (0.60) TSHRTDP1CYP2C9PPARASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406577-B1 NOVEL COUPLER COMPONENTS FOR OXIDATIVE HAIR COLOURING HENKEL KGAA (DE) 2007-10-10 EP disclosed
EP-1406577-A1 NOVEL COUPLER COMPONENTS FOR OXIDATIVE HAIR COLOURING Henkel Kommanditgesellschaft auf Aktien (DE) 2004-04-14 EP disclosed
WO-2002100364-A1 NOVEL COUPLER COMPONENTS FOR OXIDATIVE HAIR COLOURING HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-12-19 WO disclosed