SCHEMBL28023644

SCHEMBL28023644

CC(CC(OC(=O)c1ccccc1)N(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
SCN1A P35498 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
SCHEMBL83439 0.82 TSHR (0.47) TSHRTP53PDCD1CD274LMNA
SCHEMBL28023643 0.80 HSD11B1 (0.45) TSHRTP53HSD11B1SMN1; SMN2KMT2A
SCHEMBL28023023 0.77 TSHR (0.46) TSHRTP53PDCD1CD274HSD11B1
SCHEMBL28023656 0.77 HSD11B1 (0.47) TSHRTP53HSD11B1SMN1; SMN2MAPT
SCHEMBL28023026 0.77 TSHR (0.44) TSHRTP53PDCD1CD274HSD11B1
SCHEMBL28023655 0.75 TSHR (0.50) TSHRTP53PDCD1CD274HSD11B1
SCHEMBL28023029 0.75 ALDH1A1 (0.56) TSHRLMNARAB9ASMN1; SMN2NPC1
SCHEMBL28980763 0.74 CA12 (0.46) TSHRPDCD1CD274LMNARAB9A
SCHEMBL28023039 0.73 TSHR (0.47) TSHRTP53PDCD1CD274HSD11B1
SCHEMBL28321813 0.73 LMNA (0.49) TSHRTP53PDCD1CD274LMNA

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