SCHEMBL25849865

SCHEMBL25849865

CC(c1ccc2c(=O)c3ccccc3sc2c1)C(C(=O)N(CCO)CCO)C(=O)N(CCO)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 7/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 4/20 0.38
HCRTR1 O43613 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 5/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL25829540 0.76 KDM4E (0.36) ALDH1A1MAPTLMNAPOLBHCRTR1
SCHEMBL31537733 0.73 MAPT (0.50) ALDH1A1MAPTLMNAPOLBHCRTR1
SCHEMBL2149947 0.73 MAPT (0.50) ALDH1A1MAPTLMNAPOLBHCRTR1
SCHEMBL25828103 0.73 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPOLBHCRTR1
SCHEMBL27489511 0.69 KDM4E (0.47) ALDH1A1MAPTLMNAPOLBHCRTR1
SCHEMBL25721015 0.68 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPOLBL3MBTL1
Acetone SCHEMBL28555705 0.67 KDM4E (0.53) ALDH1A1MAPTLMNAPOLBHCRTR1
SCHEMBL23008021 0.66 MAPT (0.49) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL490296 0.66 HPGD (0.56) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL2385517 0.66 KDM4E (0.52) ALDH1A1MAPTLMNAPOLBHCRTR1

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
EP-4206183-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-05 EP disclosed