SCHEMBL29028274

SCHEMBL29028274

CCSC(=S)C1(CCc2ccccc2)C=CC=CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IDO1 P14902 1/20 0.32
EPHX2 P34913 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
HSD11B1 P28845 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL29034434 0.80 EPHX2 (0.35) CA12CA1CA2CA9EPHX2
SCHEMBL30128591 0.76 HSD11B1 (0.41) EPHX2HSD11B1HDAC3HDAC4HDAC1
SCHEMBL28616886 0.72 ALDH1A1 (0.36) OPRM1HSD11B1ALDH1A1
SCHEMBL13519462 0.71 HSD11B1 (0.37) OPRM1OPRL1HSD11B1HDAC3HDAC4
SCHEMBL10902976 0.69 KDM1A (0.34) OPRM1OPRL1HSD11B1ALDH1A1
SCHEMBL27583423 0.68 KDM1A (0.39) CA1CA2OPRM1OPRL1HSD11B1
SCHEMBL9240464 0.68 HPGD (0.37) CA1CA2OPRM1OPRL1HSD11B1
SCHEMBL29060724 0.68 MAOA (0.33) CA12CA1CA2CA9HSD11B1
SCHEMBL11037036 0.68 OPRM1 (0.33) OPRM1OPRL1HSD11B1
SCHEMBL29005970 0.65 KDM1A (0.42) IDO1HSD11B1ALDH1A1

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-115160467-A Preparation method and application of novel bio-based liquid modifier 东南大学 2022-10-11 CN claimed
CN-115160467-A Preparation method and application of novel bio-based liquid modifier 东南大学 2022-10-11 CN disclosed