SCHEMBL25828105

SCHEMBL25828105

O=C(c1ccccc1)c1ccc(CC(C(=O)N(CCO)CCO)C(O)N(CCO)CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.41
GLI2 P10070 2/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
ACHE P22303 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 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
SCHEMBL25848368 0.81 MDM2 (0.46) GLI1GLI2ALDH1A1HPGDACHE
SCHEMBL27589317 0.69 PPARG (0.44) ALDH1A1GAAPPARGPPARDPPARA
SCHEMBL27696374 0.69 ALDH1A1 (0.50) ALDH1A1HPGDGAAPPARGPPARD
SCHEMBL27589642 0.68 ALDH1A1 (0.48) ALDH1A1HPGDACHEGAAPPARG
SCHEMBL4543370 0.68 ACHE (0.63) ALDH1A1HPGDACHEHDAC3HDAC4
SCHEMBL27233079 0.67 L3MBTL1 (0.47) ALDH1A1HPGDGAASRD5A2NPC1
SCHEMBL13895266 0.67 ALDH1A1 (0.47) ALDH1A1HPGDGAAPPARGPPARD
SCHEMBL2033689 0.67 ALDH1A1 (0.52) ALDH1A1HPGDPPARGPPARDPPARA
SCHEMBL3348501 0.67 ALDH1A1 (0.52) ALDH1A1HPGDPPARGPPARDPPARA
SCHEMBL15391739 0.66 MDM2 (0.60) ALDH1A1HPGDPPARGPPARDPPARA

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
EP-4249518-A1 POLYMERIZABLE PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-09-27 EP disclosed
WO-2023126223-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-06 WO disclosed