SCHEMBL11236286

SCHEMBL11236286

Cc1ccc(C)c(OCC(COc2cc(C)ccc2C)OC(COc2cc(C)ccc2C)COc2cc(C)ccc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
TSHR P16473 5/20 0.49
ADRB2 P07550 1/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
PPARG P37231 1/20 0.43
HTR2B P41595 1/20 0.43
PPARA Q07869 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13475539 0.82 TSHR (0.50) CYP2C9TSHRADRB2HTTLMNA
SCHEMBL25154981 0.81 ADRB2 (0.55) CYP2C9TSHRADRB2HTTLMNA
SCHEMBL22275099 0.81 ADRB2 (0.55) CYP2C9TSHRADRB2HTTLMNA
SCHEMBL1158620 0.79 ADRB2 (0.54) CYP2C9TSHRADRB2HTTLMNA
SCHEMBL19121175 0.79 TSHR (0.47) CYP2C9TSHRADRB2HTTLMNA
Ammonia Solution, Strong SCHEMBL19664433 0.79 TSHR (0.47) CYP2C9TSHRADRB2HTTLMNA
SCHEMBL9123423 0.79 TSHR (0.47) CYP2C9TSHRADRB2HTTLMNA
SCHEMBL11041901 0.79 TSHR (0.47) CYP2C9TSHRADRB2HTTLMNA
SCHEMBL9336763 0.79 TSHR (0.47) CYP2C9TSHRADRB2HTTLMNA
SCHEMBL28412248 0.79 TSHR (0.50) CYP2C9TSHRADRB2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329176-A EMULSIFICATION OF PRINTING PASTES BASF AKTIENGESELLSCHAFT (DE) 1982-05-11 US disclosed
US-4237320-A EMULSIFIERS IN THE PREPARATION OF PRINT PASTES BASF AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed