SCHEMBL17635458

SCHEMBL17635458

C=C(C)C(=O)/C=C/c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
GLA P06280 1/20 0.64
MAPT P10636 3/20 0.57
ALDH1A1 P00352 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
LMNA P02545 2/20 0.57
RECQL P46063 2/20 0.57
PLIN5 Q00G26 2/20 0.57
ABHD5 Q8WTS1 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

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
SCHEMBL547750 1.00 TDP1 (0.64) TDP1GLAMAPTALDH1A1HDAC3
Vinyl Chloride SCHEMBL7912343 0.93 TDP1 (0.56) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL7659433 0.83 GLA (0.69) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL29051535 0.83 GLA (0.69) TDP1GLAMAPTALDH1A1HDAC3
Vinyl Chloride SCHEMBL7912344 0.83 GLA (0.46) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL1034506 0.83 MAPT (0.73) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL1034505 0.83 MAPT (0.73) TDP1GLAMAPTALDH1A1HDAC3
SCHEMBL2153308 0.83 MAPT (0.73) TDP1GLAMAPTALDH1A1HDAC3
(Z)-1,2-Diphenylethene SCHEMBL9983047 0.81 GLA (0.59) TDP1GLAMAPTALDH1A1HDAC3
(Z)-1,2-Diphenylethene SCHEMBL3017352 0.81 GLA (0.59) TDP1GLAMAPTALDH1A1HDAC3

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-9299934-B2 Polymer for organic electroluminescent elements, and organic electroluminescent element using cured product of same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-03-29 US disclosed