SCHEMBL29670874

SCHEMBL29670874

C(=Cc1ccccc1)C(C=Cc1ccccc1)=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
PLIN1 O60240 2/20 0.56
LMNA P02545 2/20 0.56
RECQL P46063 2/20 0.56
PLIN5 Q00G26 2/20 0.56
ABHD5 Q8WTS1 2/20 0.56
F3 P13726 2/20 0.56
TNKS O95271 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
TNKS2 Q9H2K2 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
SCHEMBL7872182 0.89 MAPT (0.55) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4101735 0.88 HDAC3 (0.67) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL27391990 0.87 MAPT (0.48) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7167811 0.87 ALDH1A1 (0.55) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL954016 0.86 ALDH1A1 (0.44) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9422101 0.86 ALDH1A1 (0.44) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL24093 0.86 ALDH1A1 (0.44) MAPTALDH1A1HDAC3HDAC4HDAC1
Water SCHEMBL6447465 0.84 MAPT (0.42) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL2710001 0.84 MAPT (0.42) MAPTALDH1A1HDAC3HDAC4HDAC1
Butadiene SCHEMBL9420166 0.84 MAPT (0.42) MAPTALDH1A1HDAC3HDAC4HDAC1

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
CN-216778857-U Multichannel pipettor 上海亿康医学检验所有限公司 2022-06-21 CN disclosed