SCHEMBL29908536

SCHEMBL29908536

O=C(O)CCCCCCCCCCC(=O)O.O=C(c1ccccc1)c1ccc(O)cc1.O=C(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
LMNA P02545 3/20 0.63
MEN1 O00255 2/20 0.63
RAB9A P51151 2/20 0.63
KMT2A Q03164 2/20 0.63
PPARA Q07869 1/20 0.63
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
PKM P14618 1/20 0.56

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
Sebacic Acid SCHEMBL4288163 1.00 MAPT (0.63) MAPTLMNAMEN1RAB9AKMT2A
Octanedioate SCHEMBL4274225 1.00 MAPT (0.63) MAPTLMNAMEN1RAB9AKMT2A
Sebacic Acid SCHEMBL12971388 1.00 MAPT (0.63) MAPTLMNAMEN1RAB9AKMT2A
Dodecanoate SCHEMBL6767044 0.92 HSD17B3 (0.61) MAPTLMNAMEN1RAB9AKMT2A
Stearic Acid SCHEMBL6765873 0.92 HSD17B3 (0.61) MAPTLMNAMEN1RAB9AKMT2A
Stearic Acid SCHEMBL9065925 0.91 HSD17B3 (0.59) MAPTLMNAMEN1RAB9AKMT2A
Dodecanoate SCHEMBL29144802 0.86 HSD17B3 (0.67) MEN1KMT2APPARAHDAC11ESR1
Phenol SCHEMBL4623314 0.84 HDAC3 (0.63) MAPTLMNAHDAC3HDAC4HDAC1
Sebacic Acid SCHEMBL28538398 0.84 HDAC3 (0.63) MAPTLMNAHDAC3HDAC4HDAC1
Azelaic Acid SCHEMBL28109737 0.84 HDAC3 (0.63) MAPTLMNAHDAC3HDAC4HDAC1

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-4081335-A2 A NOVEL COMPOSITE MEMBRANE IN NANOFIBER FORM FOR SELECTIVELY SEPARATING ANIONIC AND CATIONIC ORGANIC COMPOUNDS, AND A PREPARATION METHOD THEREOF Akdeniz Universitesi (TR) 2022-11-02 EP claimed