SCHEMBL24947784

SCHEMBL24947784

C=C(/C=C\C=C/C)C(=C)/C=C(\C=C/C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ RECQL P46063 2/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31

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
SCHEMBL12857109 0.78 CES2 (0.48) CES2CES1MAPTLMNAXBP1
SCHEMBL14613742 0.78 F2 (0.33) CES2CES1MAPTMEN1KMT2A
SCHEMBL29720126 0.78 MEN1 (0.36) CES2CES1MAPTMEN1KMT2A
SCHEMBL22271244 0.76 KDM4E (0.38) MAPTKMT2ALMNAATMSMN1; SMN2
SCHEMBL13349596 0.75 MAPT (0.42) CES2CES1MAPTMEN1KMT2A
SCHEMBL21064096 0.75 CES2 (0.37) CES2CES1MAPTMEN1KMT2A
SCHEMBL18381166 0.73 MEN1 (0.38) CES2CES1MAPTMEN1KMT2A
SCHEMBL19750242 0.73 MAPT (0.33) CES2CES1MAPTMEN1KMT2A
SCHEMBL18460837 0.72 ATM (0.38) CES2CES1MAPTMEN1KMT2A
SCHEMBL28085607 0.72 ATM (0.38) CES2CES1MAPTMEN1KMT2A

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-3523834-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-01-25 — — EP disclosed
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