SCHEMBL16181793

SCHEMBL16181793

C=CC(=O)OC(C)(C)c1cc(C)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 1/20 0.35
HTR2B P41595 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
HPGD P15428 1/20 0.34
TGM2 P21980 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL4928340 0.81 THRB (0.35) CYP2C9TSHRTDP1SMN1; SMN2GAA
SCHEMBL16181831 0.81 MEN1 (0.35) CYP2C9TSHRTDP1TTRCYP1A2
SCHEMBL16181842 0.78 CYP2C9 (0.37) CYP2C9TSHRTDP1TTRCYP1A2
SCHEMBL31132053 0.76 THRB (0.39) CYP2C9TSHRTDP1TGM2POLB
SCHEMBL22840928 0.75 TP53 (0.41) TDP1HPGDMEN1KMT2ALMNA
SCHEMBL20494345 0.72 THRB (0.37) CYP2C9TSHRCYP1A2SMN1; SMN2HPGD
SCHEMBL2881531 0.72 MEN1 (0.40) CYP2C9TDP1SMN1; SMN2POLBMEN1
SCHEMBL30630961 0.72 MEN1 (0.40) CYP2C9TDP1SMN1; SMN2POLBMEN1
SCHEMBL28482018 0.72 TDP1 (0.39) CYP2C9TSHRTDP1TTRCYP1A2
SCHEMBL22829480 0.70 ESR1 (0.35) TSHRGAAKMT2ALMNA

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
EP-1403295-B1 Ester compounds, polymers, resist compositions and patterning process SHINETSU CHEMICAL CO (JP) 2014-10-22 EP disclosed