SCHEMBL28410108

SCHEMBL28410108

CCCC(=O)C1=C(O)C(C)(C)C(O)=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 7/20 0.46
▸ HSD17B3 P37058 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ LMNA P02545 1/20 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
SCHEMBL28212260 0.77 FASN (0.55) FASNHSD17B3TSHRHPGDALDH1A1
SCHEMBL4962391 0.70 FASN (0.64) FASNHSD17B3TSHRHPGDALDH1A1
SCHEMBL30212099 0.66 FASN (0.91) FASNHSD17B3TSHRHPGDALDH1A1
SCHEMBL30212096 0.63 FASN (1.00) FASNHSD17B3SMN1; SMN2
SCHEMBL31328339 0.62 PTGES (0.53) FASNHSD17B3RECQLTDP1
SCHEMBL30212070 0.62 FASN (0.82) FASNSMN1; SMN2KMT2A
SCHEMBL5931840 0.61 PTGES (0.52) FASNHSD17B3ALDH1A1RECQLTDP1
SCHEMBL11074690 0.61 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL11742802 0.61 PTPN1 (0.41) FASNHSD17B3TSHRHPGDALDH1A1
SCHEMBL11787464 0.59 HSD17B3 (0.35) FASNHSD17B3TSHRHPGDALDH1A1

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
CN-107837247-B Dryopteris fragrans phloroglucinol compound yellow-sheep-maleic acid BB and antibacterial application thereof 广东药科大学 2020-06-05 — — CN disclosed
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