SCHEMBL10911004

SCHEMBL10911004

CCCC(=O)c1c(O)c2c(c(C(=O)CCC)c1O)OC(C)(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.45
▸ CCR5 P51681 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ FASN P49327 3/20 0.37
▸ PLA2G2A P14555 2/20 0.35
▸ PLA2G5 P39877 2/20 0.35
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSP90AA1 P07900 2/20 0.32
▸ PTPN1 P18031 3/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL10910390 0.81 CTSB (0.46) CTSBCCR5CTSLFASNPLA2G2A
SCHEMBL10908300 0.72 PLA2G2A (0.53) CTSBCTSLPLA2G2APLA2G5PTPN1
SCHEMBL9752636 0.71 FASN (0.61) FASNPLA2G2APLA2G5TSHRLMNA
SCHEMBL10912936 0.69 CTSB (0.62) CTSBCTSLPLA2G2APLA2G5FFAR1
SCHEMBL10908498 0.69 FASN (0.39) FASNPLA2G2APLA2G5HPGDFFAR1
SCHEMBL14491652 0.66 PTGS1 (0.43) CCR5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL12044485 0.65 FASN (0.43) FASNPLA2G2APLA2G5PTGS1PTGS2
SCHEMBL10908576 0.64 CTSB (0.64) CTSBCTSLHSP90AA1FFAR1NFKB1
SCHEMBL9752842 0.64 FASN (0.75) FASNPLA2G2APLA2G5TSHRLMNA
SCHEMBL12599531 0.64 HPGD (0.42) CTSBCCR5CTSLCYP3A4LMNA

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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