SCHEMBL11033432

SCHEMBL11033432

O=C(C=Cc1ccccc1)C(=Cc1ccccc1)C(=O)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C(=Cc1ccccc1)C(=O)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C(=Cc1ccccc1)C(=O)C=Cc1ccccc1.[Pd]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
LMNA P02545 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
PLIN1 O60240 2/20 0.57
RECQL P46063 2/20 0.57
PLIN5 Q00G26 2/20 0.57
ABHD5 Q8WTS1 2/20 0.57
ALDH1A1 P00352 2/20 0.57
F3 P13726 2/20 0.57
TNKS O95271 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57

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
SCHEMBL10717498 1.00 MAPT (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL9333787 1.00 MAPT (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL9416654 0.98 MAPT (0.59) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL7575690 0.96 MAPT (0.57) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL28435739 0.94 MAPT (0.59) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL11126196 0.90 MAPT (0.55) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL30603824 0.89 GLA (0.56) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL29761302 0.87 MAPT (0.52) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL18203200 0.85 CYP1B1 (0.55) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL27430857 0.85 GLA (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59073536-A None JP disclosed
JP-S5973536-A PREPARATION OF ALPHA,BETA-UNSATURATED KETONE NIPPON ZEON CO LTD 1984-04-25 JP disclosed