SCHEMBL28225367

SCHEMBL28225367

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.39
CFTR P13569 1/20 0.39
AOX1 Q06278 1/20 0.39
GGH Q92820 1/20 0.37
FOLH1 Q04609 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16046169 0.86 POLB (0.40) NPSR1TSHRGAAPKMMEN1
SCHEMBL28774210 0.81 NPSR1 (0.49) NPSR1USP2GAAPKMMEN1
SCHEMBL9291069 0.79 TDP1 (0.44) NPSR1GAAPKMMEN1ALDH1A1
SCHEMBL9291073 0.79 MAPT (0.47) NPSR1GAAMEN1ALDH1A1KMT2A
SCHEMBL28053080 0.78 CYP2C19 (0.41) NPSR1TSHRUSP2GAAPKM
SCHEMBL28390105 0.78 NPSR1 (0.49) NPSR1USP2GAAPKMMEN1
SCHEMBL25705259 0.78 NPSR1 (0.49) NPSR1USP2GAAPKMMEN1
SCHEMBL16047105 0.76 POLB (0.45) TSHRUSP2GAAPKMMEN1
SCHEMBL25705277 0.75 NPSR1 (0.50) NPSR1USP2GAAMEN1ALDH1A1
SCHEMBL28615728 0.74 NPSR1 (0.45) NPSR1USP2GAAPKMMEN1

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-109180843-A The non-phthalic acid ester compound as electron donor for polyolefin catalyst 美国台塑公司 2019-01-11 CN disclosed
CN-105339085-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2018-06-26 CN disclosed