SCHEMBL9836154

SCHEMBL9836154

C=CC(=O)OC(C)(CC1=CCCC1)C(=O)C1=CCCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
GSTP1 P09211 1/20 0.31
CTSK P43235 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9836952 0.76 HDAC4 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9835850 0.71 ALDH1A1 (0.32) ALDH1A1GSTP1
SCHEMBL3421768 0.69 GSTP1 (0.33) GSTP1
SCHEMBL57575 0.67 GSTP1 (0.32) GSTP1
SCHEMBL9004436 0.67 HDAC2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28593099 0.65 HDAC2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9300220 0.65 GSTP1 (0.31) GSTP1
SCHEMBL18857348 0.65 HDAC4 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL301811 0.64 GSTP1 (0.40) ALDH1A1GSTP1NPC1RAB9ASMN1; SMN2
SCHEMBL9837482 0.64 GSTP1 (0.32) GSTP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210637-B1 OPTICAL COATING COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-11 EP disclosed
US-4814257-A PHOTOHARDENING ACRYLATE ESTER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-21 US disclosed
EP-0210637-A2 Optical coating composition E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-02-04 EP disclosed