SCHEMBL10908576

SCHEMBL10908576

CC(C)CCC(=O)c1c(O)cc2c(c1O)CCC(C)(C)O2

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.64
▸ CTSL P07711 1/20 0.56
▸ PDE4D Q08499 2/20 0.40
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL10912936 0.82 CTSB (0.62) CTSBCTSLNFKB1NFKB2RELA
SCHEMBL10910910 0.82 CTSB (0.43) CTSBCTSLPDE4DNFKB1NFKB2
SCHEMBL12599530 0.79 CTSB (0.58) CTSBCTSLPDE4DNFKB1NFKB2
SCHEMBL28150498 0.78 CTSB (1.00) CTSBCTSLNFKB1NFKB2RELA
SCHEMBL9752750 0.73 FFAR1 (0.67) FFAR1MEN1KMT2A
SCHEMBL31544925 0.71 CTSB (0.46) CTSBCTSLPDE4DNFKB1NFKB2
SCHEMBL14249407 0.68 NFKB1 (0.63) CTSBCTSLPDE4DNFKB1NFKB2
SCHEMBL31040526 0.68 FFAR1 (0.59) FFAR1MEN1KMT2A
SCHEMBL31040534 0.68 FFAR1 (0.59) FFAR1MEN1KMT2APOLB
SCHEMBL31040527 0.68 FFAR1 (0.59) FFAR1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0069536-B1 PHLOROPHENONE DERIVATIVES, PROCESSES FOR PREPARING SUCH COMPOUNDS, USES AND PHARMACEUTICAL COMPOSITIONS OF PHLOROPHENONE COMPOUNDS NORISTAN LIMITED (ZA) 1986-12-17 — — EP disclosed
US-4578520-A Phlorophenone derivatives, processes for preparing such compounds, uses and pharmaceutical compositions of phlorophenone compounds NORISTAN LIMITED (ZA) 1986-03-25 — — US disclosed
US-4503256-A BACTERICIDES, FUNGICIDES NORISTAN LIMITED (ZA) 1985-03-05 — — US disclosed
EP-0069536-A1 Phlorophenone derivatives, processes for preparing such compounds, uses and pharmaceutical compositions of phlorophenone compounds NORISTAN LIMITED (ZA) 1983-01-12 — — EP disclosed
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