SCHEMBL28624062

SCHEMBL28624062

C=CC(=O)OC(C)(CCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 5/20 0.39
THRA P10827 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
NFKB1 P19838 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL27856981 0.86 CYP2C19 (0.44) CYP2C19HIF1ATHRBTHRAALDH1A1
SCHEMBL984518 0.85 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1TSHRCYP3A4
SCHEMBL15901527 0.83 THRB (0.40) CYP2C19HIF1ATHRBTHRAALDH1A1
SCHEMBL15188011 0.79 CYP2C19 (0.41) CYP2C19HIF1ATHRBALDH1A1TSHR
SCHEMBL3169549 0.79 CYP2C19 (0.46) CYP2C19HIF1ATHRBALDH1A1TSHR
SCHEMBL27979647 0.77 S1PR4 (0.37) CYP2C19HIF1ATHRBALDH1A1TSHR
SCHEMBL30887689 0.77 CYP2C19 (0.44) CYP2C19HIF1ATHRBALDH1A1TSHR
SCHEMBL4596471 0.77 ALDH1A1 (0.48) CYP2C19HIF1ATHRBALDH1A1TSHR
SCHEMBL28865353 0.77 THRB (0.43) CYP2C19THRBTHRAALDH1A1CYP3A4
SCHEMBL6849252 0.76 THRB (0.41) CYP2C19HIF1ATHRBTHRAALDH1A1

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
CN-106556972-B Overcoat compositions and methods for photolithography 罗门哈斯电子材料韩国有限公司 2021-07-27 CN disclosed