SCHEMBL27948827

SCHEMBL27948827

CC(COC(=O)c1ccccc1)S(=O)(=O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
SLC1A5 Q15758 1/20 0.42
PLCG1 P19174 1/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 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
SCHEMBL28023029 0.81 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL28023036 0.81 HPGD (0.50) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL28023652 0.76 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL27933271 0.76 PLCG1 (0.51) ALDH1A1POLBLMNAPLCG1KMT2A
SCHEMBL27948842 0.73 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL4415878 0.73 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL17857748 0.73 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL27890102 0.73 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 0.72 TSHR (0.69) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL1785955 0.72 ALDH1A1 (0.69) ALDH1A1ADRB2ADRB1ADRB3LMNA

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-A Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2014-01-15 CN disclosed