SCHEMBL6743557

SCHEMBL6743557

Cc1ccc(C)c(OCCBr)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
TDP1 Q9NUW8 3/20 0.51
CYP2C9 P11712 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C8 P10632 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA1A P35348 1/20 0.51
PPARG P37231 1/20 0.51
HTR2B P41595 1/20 0.51
PPARA Q07869 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5223212 0.90 TSHR (0.62) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL7639935 0.89 TSHR (0.60) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL5929495 0.87 TSHR (0.67) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL6742429 0.87 TSHR (0.58) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL9213101 0.87 TSHR (0.58) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL9594858 0.86 L3MBTL1 (0.51) TSHRTDP1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL5266458 0.85 TSHR (0.70) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL3130943 0.84 SMN1; SMN2 (0.54) TSHRTDP1SMN1; SMN2CYP1A2KDM4E
SCHEMBL23611097 0.82 L3MBTL1 (0.51) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL30236267 0.82 L3MBTL1 (0.51) TSHRTDP1CYP2C9SMN1; SMN2TTR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693158-B2 ORGANONITROGEN, ORGANOOXYGEN POLYMER NATIONAL SCIENCE COUNCIL (TW) 2004-02-17 US disclosed
US-20030109656-A1 Electroluminiscent conjugated polymers modified with high eletronegative heterocyclic moieties and their applications in polymeric light emitting diodes NATIONAL SCIENCE COUNCIL TAIWAN CORPORATION (TW) 2003-06-12 US disclosed
US-6495644-B1 CONTAINING HETEROCYCLIC GROUPS SUCH AS 1,3,4-OXADIAZOLE-DIYL, 1,3,4-THIADIAZOLE-DIYL AND 1,2,4-TRIAZOLE-DIYL; HIGH EXTERNAL QUANTUM EFFICIENCY NATIONAL SCIENCE COUNCIL (TW) 2002-12-17 US disclosed
EP-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed