SCHEMBL28023642

SCHEMBL28023642

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.43
HSD11B1 P28845 1/20 0.43
BCHE P06276 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28023650 0.92 TDP1 (0.53) LMNATDP1MAPTHSD11B1BCHE
SCHEMBL14336043 0.85 TDP1 (0.59) LMNATDP1MAPTHSD11B1ALDH1A1
SCHEMBL9723980 0.85 NPC1 (0.56) LMNATDP1MAPTHSD11B1ALDH1A1
SCHEMBL28023649 0.82 HSD11B1 (0.55) LMNATDP1MAPTHSD11B1ALDH1A1
SCHEMBL28023633 0.82 LMNA (0.47) LMNATDP1MAPTBCHEALDH1A1
SCHEMBL18775826 0.79 MEN1 (0.46) LMNATDP1MAPTBCHEALDH1A1
SCHEMBL28023652 0.78 ALDH1A1 (0.49) LMNATDP1MAPTALDH1A1MAPK1
SCHEMBL14578755 0.77 KMT2A (0.57) LMNAMAPTALDH1A1CA9PKM
SCHEMBL27933090 0.77 TDP1 (0.66) LMNATDP1MAPTHSD11B1ALDH1A1
SCHEMBL28023017 0.75 ALDH1A1 (0.46) LMNATDP1MAPTALDH1A1MAPK1

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