SCHEMBL29415366

SCHEMBL29415366

CCCCOS(=O)(=O)c1ccccc1S(=O)(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.47
CA1 P00915 11/20 0.47
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA9 Q16790 9/20 0.42
CA12 O43570 4/20 0.42
CA7 P43166 4/20 0.42
HPGD P15428 1/20 0.41
LTA4H P09960 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39

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
SCHEMBL7190008 1.00 CA2 (0.47) CA2CA1TSHRTDP1L3MBTL1
SCHEMBL16047004 0.94 CA1 (0.48) CA2CA1TSHRALDH1A1CA9
SCHEMBL27465812 0.89 CTSB (0.42) CA2CA1TSHRTDP1L3MBTL1
SCHEMBL7060570 0.89 POLB (0.42) CA2CA1TSHRTDP1L3MBTL1
SCHEMBL8710635 0.88 F2 (0.41) CA2CA1TSHRTDP1L3MBTL1
SCHEMBL5085888 0.88 CA2 (0.44) CA2CA1TSHRTDP1L3MBTL1
SCHEMBL4842561 0.88 POLB (0.41) CA2CA1TSHRTDP1L3MBTL1
SCHEMBL6325404 0.88 CYP2C9 (0.50) CA2CA1TSHRALDH1A1CA9
SCHEMBL29415291 0.88 CA1 (0.43) CA2CA1TSHRALDH1A1CA9
SCHEMBL16045767 0.88 CA1 (0.43) CA2CA1TSHRALDH1A1CA9

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-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN claimed
CN-109180843-B Non-phthalate compounds as electron donors for polyolefin catalysts 美国台塑公司 2022-03-01 CN disclosed