SCHEMBL9767873

SCHEMBL9767873

Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 2/20 0.54
BCL2L1 Q07817 1/20 0.54
HDAC4 P56524 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
ALOX5 P09917 1/20 0.45
BACE1 P56817 1/20 0.45
ACMSD Q8TDX5 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ESR1 P03372 1/20 0.43
HNF4A P41235 1/20 0.43

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
SCHEMBL22310170 0.89 HDAC4 (0.50) HPGDALDH1A1HSD17B10BCL2L1HDAC4
SCHEMBL10338434 0.88 HDAC4 (0.53) HPGDALDH1A1HSD17B10BCL2L1HDAC4
SCHEMBL8778337 0.88 HDAC4 (0.53) HPGDALDH1A1HSD17B10BCL2L1HDAC4
SCHEMBL8778334 0.88 HPGD (0.70) HPGDALDH1A1HSD17B10BCL2L1HDAC4
SCHEMBL8914805 0.88 HPGD (0.70) HPGDALDH1A1HSD17B10BCL2L1HDAC4
SCHEMBL30127606 0.88 HPGD (0.70) HPGDALDH1A1HSD17B10BCL2L1HDAC4
Bicarbonate SCHEMBL9704219 0.83 HDAC4 (0.53) HPGDALDH1A1HSD17B10BCL2L1HDAC4
SCHEMBL13368747 0.82 HPGD (0.60) HPGDALDH1A1HSD17B10BCL2L1HDAC4
SCHEMBL1639143 0.81 HSD17B1 (0.43) HDAC4HDAC2HDAC8ALOX5BACE1
SCHEMBL10227395 0.81 PTGER1 (0.41) HDAC4HDAC2HDAC8ALOX5BACE1

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-5013815-A Aromatic polyether sulfones, a process for their production and their use BAYER AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed