SCHEMBL25819182

SCHEMBL25819182

CCOc1ccc(C(C)(C)c2ccc(OCOc3c4cccc3Cc3cccc(c3OC)Cc3cccc(c3OCC)Cc3cccc(c3OC)C4)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ TP53 P04637 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ NQO1 P15559 1/20 0.36
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35

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
SCHEMBL25819187 0.87 LMNA (0.35) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL25956024 0.74 NQO1 (0.56) MAPTMEN1KMT2ATP53HPGD
SCHEMBL8962018 0.74 NQO1 (0.56) MAPTMEN1KMT2ATP53HPGD
SCHEMBL3035998 0.73 NQO1 (0.67) MAPTMEN1KMT2ATP53HPGD
SCHEMBL13382488 0.72 LTA4H (0.46) MAPTMEN1KMT2ATP53HPGD
SCHEMBL12128744 0.70 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL22754540 0.69 MEN1 (0.49) MAPTMEN1KMT2ATP53HPGD
SCHEMBL13209791 0.69 NQO1 (0.58) MAPTMEN1KMT2ATP53HPGD
SCHEMBL14280093 0.69 SMN1; SMN2 (0.66) MAPTMEN1KMT2ATP53HPGD
SCHEMBL15541243 0.68 KDM4E (0.43) MAPTTSHRALDH1A1SMN1; SMN2TUBB4A

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
US-20230220158-A1 IONOMERS WITH MACROCYCLIC MOIETIES FOR ION CONDUCTIVITY AND PERMSELECTIVITY NATIONAL SCIENCE FOUNDATION 2023-07-13 — — US disclosed
Send feedback