SCHEMBL11337119

SCHEMBL11337119

Cc1ccc(C)c(OCCCC(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.58
▸ TDP1 Q9NUW8 3/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ PPARA Q07869 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
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ CISD1 Q9NZ45 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 3/20 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
SCHEMBL13475541 0.91 TSHR (0.56) TSHRTDP1CYP2C9PPARATTR
SCHEMBL6247287 0.89 TSHR (0.51) TSHRTDP1CYP2C9PPARATTR
SCHEMBL5266458 0.85 TSHR (0.70) TSHRTDP1CYP2C9PPARATTR
SCHEMBL5929495 0.82 TSHR (0.67) TSHRTDP1CYP2C9PPARATTR
SCHEMBL13475539 0.79 TSHR (0.50) TSHRTDP1CYP2C9PPARATTR
SCHEMBL10241943 0.79 TSHR (0.64) TSHRTDP1CYP2C9PPARATTR
SCHEMBL14228281 0.79 TSHR (0.51) TSHRTDP1CYP2C9PPARATTR
SCHEMBL15872026 0.79 TSHR (0.58) TSHRTDP1CYP2C9PPARATTR
SCHEMBL17299694 0.78 TSHR (0.62) TSHRTDP1CYP2C9PPARATTR
SCHEMBL13251250 0.78 TDP1 (0.59) TSHRTDP1CYP1A2SMN1; SMN2HTT

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-4285951-A ANTICHOLESTEROL AND CARDIOTONIC AGENTS WARNER-LAMBERT COMPANY (US) 1981-08-25 — — US disclosed
Send feedback