SCHEMBL28023650

SCHEMBL28023650

CC(C)c1ccc(S(=O)(=O)CCCOC(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 2/20 0.47
BCHE P06276 2/20 0.46
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 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
SCHEMBL28023642 0.92 LMNA (0.49) TDP1LMNABCHEMAPTHSD11B1
SCHEMBL27933090 0.86 TDP1 (0.66) TDP1LMNAPOLBMAPTHSD11B1
SCHEMBL28023022 0.83 TDP1 (0.57) TDP1LMNAPOLBMAPTHSD11B1
SCHEMBL28023633 0.80 LMNA (0.47) TDP1LMNABCHEMAPTALDH1A1
Isopropylbenzene SCHEMBL28857702 0.78 LMNA (0.63) TDP1LMNABCHEMAPTALDH1A1
SCHEMBL14336043 0.77 TDP1 (0.59) TDP1LMNAPOLBMAPTHSD11B1
SCHEMBL9723980 0.77 NPC1 (0.56) TDP1LMNAMAPTHSD11B1ALDH1A1
SCHEMBL28023652 0.76 ALDH1A1 (0.49) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL6332456 0.75 CYP3A4 (0.57) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL10172828 0.74 TDP1 (0.70) TDP1LMNAPOLBALDH1A1MAPK1

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-103509135-B Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed