SCHEMBL9766554

SCHEMBL9766554

O=S(=O)(O)C1(S(=O)(=O)O)C=CC=C(c2ccccc2-c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BCAT2 O15382 1/20 0.31
CA12 O43570 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
LMNA P02545 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
HTT P42858 1/20 0.31
FABP4 P15090 2/20 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
SCHEMBL27734469 0.89 NPC1 (0.32) ALDH1A1HPGDLMNATSHR
SCHEMBL27637698 0.88 HDAC4 (0.31) HDAC4ALDH1A1LMNATSHR
SCHEMBL28009712 0.78 MAOA (0.33) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL27902284 0.77 THRB (0.36) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL10614677 0.76 ALDH1A1 (0.36) PTGS2HDAC4HDAC2HDAC8HDAC6
SCHEMBL28058791 0.74 SLC6A2 (0.32) PTGS2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL1244501 0.74 ALDH1A1 (0.35) PTGS2HDAC4HDAC2HDAC8HDAC6
SCHEMBL28519458 0.74 KDM4E (0.32)
SCHEMBL28667793 0.72 NCOA1 (0.45) PTGS2ALDH1A1CA12CA2CA9
SCHEMBL5583449 0.72 ALDH1A1 (0.33) HDAC2ALDH1A1LMNATSHR

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-5008472-A Preparation of 4,4\"-dihydroxyterphenyl BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed