SCHEMBL31065663

SCHEMBL31065663

CC(=O)OCOC(=O)c1ccc(S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ESR2 Q92731 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAOA P21397 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MYC P01106 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL16020464 0.85 ALDH1A1 (0.50) ESR1CA12CA1CA2CA7
SCHEMBL9768509 0.83 ESR1 (0.63) ESR1CA12CA1CA2CA7
SCHEMBL16627110 0.83 TDP1 (0.53) ESR1CA12CA1CA2CA7
SCHEMBL2652364 0.81 LMNA (0.58) LMNAALDH1A1TSHRSLC6A2TDP1
SCHEMBL1790807 0.79 CA1 (0.68) ESR1CA12CA1CA2CA7
SCHEMBL4910799 0.78 MYC (0.39) ESR1CA12CA1CA2CA7
SCHEMBL19294789 0.77 SNCA (0.43) ESR1CA12CA1CA2CA7
SCHEMBL27550906 0.77 CA1 (0.66) ESR1CA12CA1CA2CA7
SCHEMBL13503150 0.76 CA1 (0.53) CA1CA2ESR2LMNATSHR
SCHEMBL19426876 0.76 ALDH1A1 (0.62) ESR2LMNAALDH1A1TSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118562273-A Long glass fiber reinforced polycarbonate and preparation method thereof 万华化学(宁波)有限公司 2024-08-30 CN claimed
CN-118562273-A Long glass fiber reinforced polycarbonate and preparation method thereof 万华化学(宁波)有限公司 2024-08-30 CN disclosed