SCHEMBL31296580

SCHEMBL31296580

O=C(CCCCCCCCCCCCCCCCCCCCC(=O)OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TBXA2R P21731 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL31228950 1.00 ALDH1A1 (0.46) ALDH1A1TBXA2RHDAC3HDAC4HDAC1
SCHEMBL28445921 1.00 ALDH1A1 (0.46) ALDH1A1TBXA2RHDAC3HDAC4HDAC1
SCHEMBL27799463 0.92 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL3032957 0.92 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL3039585 0.92 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL11057714 0.92 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL9712116 0.92 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL7290861 0.92 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL3030933 0.92 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL9754536 0.92 MEN1 (0.49) MEN1KMT2AKDM4E

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-113767159-B Reversible thermochromic microcapsule pigment 百乐墨水株式会社 2024-12-06 CN disclosed