SCHEMBL27948845

SCHEMBL27948845

CC(C)OCC(O)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.38
PSIP1 O75475 1/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL6095331 0.77 LARS1 (0.47) HTTCA1CA2CA9RAB9A
SCHEMBL8778753 0.76 PSIP1 (0.50) CA1CA2ATMPSIP1TSHR
SCHEMBL3328706 0.73 TSHR (0.48) HPGDCA1CA2CA9CA4
SCHEMBL3917298 0.73 SMN1; SMN2 (0.50) HTTATMPSIP1TSHRMEN1
SCHEMBL6094396 0.72 PSIP1 (0.42) CA1CA2CA9ATMPSIP1
SCHEMBL27430447 0.72 TSHR (0.43) CA1CA2CA9CA4CA7
SCHEMBL4432536 0.72 TSHR (0.43) CA1CA2CA9CA4CA7
SCHEMBL28807013 0.71 HSD11B1 (0.43) RAB9AATMPSIP1TSHRSMN1; SMN2
SCHEMBL29741753 0.70 LMNA (0.46) HPGDCA1CA2CA9CA4
SCHEMBL27522837 0.70 TSHR (0.44) HTTCA1CA2CA9CA4

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