SCHEMBL28023017

SCHEMBL28023017

CCC(COC(=O)c1ccccc1)S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MMP2 P08253 2/20 0.39
MMP9 P14780 1/20 0.39
TP53 P04637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
MMP3 P08254 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL27948830 0.90 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL28023034 0.86 HPGD (0.48) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL28023652 0.86 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL28023633 0.79 LMNA (0.47) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL28023029 0.76 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL28023642 0.75 LMNA (0.49) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL28023650 0.73 TDP1 (0.53) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL28023036 0.73 HPGD (0.50) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL442774 0.72 MAPT (0.78) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL21376003 0.71 KMT2A (0.69) ALDH1A1MAPTLMNARAB9ANPC1

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