SCHEMBL10912936

SCHEMBL10912936

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.62
▸ PLA2G2A P14555 2/20 0.56
▸ PLA2G5 P39877 2/20 0.56
▸ FFAR1 O14842 1/20 0.56
▸ CTSL P07711 1/20 0.56
▸ ELANE P08246 5/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38

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
SCHEMBL10908576 0.82 CTSB (0.64) CTSBFFAR1CTSLMEN1KMT2A
SCHEMBL10908300 0.82 PLA2G2A (0.53) CTSBPLA2G2APLA2G5FFAR1CTSL
Didodecanoylphloroglucinol SCHEMBL9188500 0.73 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1ELANEMEN1
SCHEMBL14924223 0.73 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1ELANEMEN1
SCHEMBL9752712 0.73 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1ELANEMEN1
SCHEMBL9752843 0.73 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1ELANEMEN1
SCHEMBL9752583 0.72 PLA2G2A (0.96) PLA2G2APLA2G5FFAR1ELANEMEN1
SCHEMBL10910390 0.72 CTSB (0.46) CTSBPLA2G2APLA2G5FFAR1CTSL
SCHEMBL18270705 0.71 CTSB (0.46) CTSBALDH1A1
SCHEMBL10911004 0.69 CTSB (0.45) CTSBPLA2G2APLA2G5FFAR1CTSL

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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