SCHEMBL28023656

SCHEMBL28023656

CN(C)C(CCS(=O)(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.47
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28023643 0.86 HSD11B1 (0.45) HSD11B1TP53TSHRPOLBMAPT
SCHEMBL28321813 0.80 LMNA (0.49) TP53TSHRMAPTSMN1; SMN2
SCHEMBL28023644 0.77 TSHR (0.40) HSD11B1TP53TSHRPOLBMAPT
SCHEMBL31544794 0.76 TSHR (0.44) TP53TSHRPOLBMAPTSMN1; SMN2
SCHEMBL28406543 0.75 ALDH1A1 (0.49) TP53TSHR
SCHEMBL83439 0.74 TSHR (0.47) TP53TSHRPOLBSMN1; SMN2
SCHEMBL28023023 0.73 TSHR (0.46) HSD11B1TP53TSHRMAPTSMN1; SMN2
SCHEMBL14336043 0.70 TDP1 (0.59) HSD11B1POLBMAPTCA12CA9
SCHEMBL28023026 0.69 TSHR (0.44) HSD11B1TP53TSHRMAPTSMN1; SMN2
SCHEMBL27948832 0.69 MEN1 (0.53) HSD11B1TP53TSHRPOLBMAPT

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