SCHEMBL22422628

SCHEMBL22422628

C=C(CC)C(O)OC1CC(=C)C2CC(O)C(C)C2C2OC(=O)C(=C)C12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10307512 0.82 MAPT (0.42) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL12516825 0.78 MAPT (0.42) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL31273011 0.78 MAPT (0.42) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL18180889 0.78 MAPT (0.35) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL10307520 0.78 MAPT (0.35) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL12459711 0.69 MAPT (0.41) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL22305507 0.67 PKM (0.41) MAPTMEN1ALDH1A1KMT2ANPC1
Grossheimin SCHEMBL1711489 0.64 MAPT (0.34) MAPTMEN1ALDH1A1KMT2AKDM4E
Grossheimin SCHEMBL1711493 0.64 MAPT (0.34) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL10307519 0.63 MAPT (0.43) MAPTMEN1ALDH1A1KMT2AKDM4E

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-2661266-B1 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ANJI PHARMA (US) LLC (US) 2020-09-16 — — EP disclosed
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