SCHEMBL28634688

SCHEMBL28634688

C=CC(=O)OC(C)(C)C.OC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
EGFR P00533 1/20 0.41
KMT2A Q03164 3/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
Styrene SCHEMBL28700695 0.89 CYP2C19 (0.38) CYP2C19EGFRKMT2AGLATDP1
SCHEMBL28120691 0.88 CYP2C19 (0.45) CYP2C19EGFRKMT2AGLATDP1
Styrene SCHEMBL6903124 0.85 ALDH1A1 (0.48) CYP2C19EGFRGLATDP1LMNA
Styrene SCHEMBL5008696 0.85 ALDH1A1 (0.48) CYP2C19EGFRGLATDP1LMNA
Styrene SCHEMBL27545176 0.83 ALDH1A1 (0.45) CYP2C19EGFRGLATDP1LMNA
SCHEMBL1506719 0.82 APP (0.43) CYP2C19KMT2ATDP1ALDH1A1HDAC3
SCHEMBL2997719 0.82 EGFR (0.43) CYP2C19EGFRKMT2AGLATDP1
Acrylic Acid Methyl Ester SCHEMBL5329576 0.82 ALDH1A1 (0.45) CYP2C19EGFRKMT2AGLATDP1
SCHEMBL5008693 0.81 EGFR (0.42) CYP2C19EGFRKMT2AGLATDP1
Benzene SCHEMBL27527850 0.81 THRB (0.36) CYP2C19TDP1LMNAALDH1A1MAPT

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
CN-114721222-A Polymer composition and method for manufacturing semiconductor device 台湾积体电路制造股份有限公司 2022-07-08 CN disclosed
CN-113311662-A Method for manufacturing semiconductor device and photoresist composition 台湾积体电路制造股份有限公司 2021-08-27 CN disclosed