SCHEMBL4878883

SCHEMBL4878883

C=CC=CC(C=Cc1ccccc1)=C(C=C(C)C#N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.36
MCL1 Q07820 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 5/20 0.36
CYP2C9 P11712 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
PLIN1 O60240 2/20 0.36
F3 P13726 2/20 0.36
RECQL P46063 2/20 0.36
PLIN5 Q00G26 2/20 0.36
ABHD5 Q8WTS1 2/20 0.36

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
SCHEMBL624043 0.84 GLA (0.41) TDP1GLAALDH1A1NPC1MCL1
SCHEMBL11126989 0.81 GLA (0.41) TDP1GLAALDH1A1NPC1MCL1
SCHEMBL1690910 0.80 GLA (0.45) TDP1GLAALDH1A1NPC1MCL1
SCHEMBL353086 0.79 GLA (0.42) TDP1GLAALDH1A1NPC1MCL1
Acrylonitrile SCHEMBL22656767 0.79 GLA (0.44) TDP1GLAALDH1A1NPC1MCL1
SCHEMBL17746649 0.79 LMNA (0.39) TDP1GLAALDH1A1MCL1MAPT
SCHEMBL10905612 0.78 GLA (0.41) TDP1GLAALDH1A1NPC1MCL1
SCHEMBL5161450 0.77 GLA (0.51) TDP1GLAALDH1A1NPC1MAPT
SCHEMBL6518213 0.76 LMNA (0.39) TDP1GLAALDH1A1MCL1MAPT
SCHEMBL15912598 0.75 NPC1 (0.36) TDP1GLAALDH1A1NPC1MCL1

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-20080074575-A1 Liquid Crystal Display Device WIEMER WOLFRAM 2008-03-27 US disclosed