SCHEMBL9012108

SCHEMBL9012108

Cc1ccc(C)c(OCCC=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP2C9 P11712 2/20 0.51
SMN1; SMN2 Q16637 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
SLCO1B3 Q9NPD5 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL5929495 0.82 TSHR (0.67) TSHRHTTLMNATDP1CYP2C9
SCHEMBL2551052 0.81 HTT (0.54) TSHRHTTLMNATDP1CYP2C9
SCHEMBL28309816 0.81 ALDH1A1 (0.43) TSHRHTTLMNATDP1CYP2C9
SCHEMBL5266458 0.81 TSHR (0.70) TSHRHTTLMNATDP1CYP2C9
SCHEMBL13212085 0.79 FDPS (0.58) TSHRHTTLMNATDP1CYP2C9
SCHEMBL2562138 0.78 HPGD (0.50) TSHRHTTLMNATDP1SMN1; SMN2
SCHEMBL29565913 0.77 HPGD (0.58) TSHRHTTLMNATDP1CYP2C9
SCHEMBL172302 0.77 TSHR (0.61) TSHRHTTLMNATDP1CYP2C9
SCHEMBL9012100 0.76 TSHR (0.47) TSHRHTTLMNATDP1CYP2C9
SCHEMBL3655614 0.76 ALDH1A1 (0.52) TSHRLMNATDP1CYP2C9SMN1; 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
US-5412112-A Derivatives and preparation of 2,2-dimethyl-5-substituted phenoxy-pentanoic acids INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1995-05-02 US claimed
US-5530145-A ANTICHOLESTEROL AGENTS SYN-TECH CHEM & PHARM CO., LTD. (TW) 1996-06-25 US disclosed
US-5412112-A Derivatives and preparation of 2,2-dimethyl-5-substituted phenoxy-pentanoic acids INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1995-05-02 US disclosed