SCHEMBL7142492

SCHEMBL7142492

COc1cc(OCCCC(=O)O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PTPN1 P18031 2/20 0.52
▸ FFAR1 O14842 4/20 0.49
▸ FFAR4 Q5NUL3 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48
▸ DHFR P00374 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 1/20 0.46

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
SCHEMBL10335441 0.88 LMNA (0.53) TSHRALDH1A1FFAR1FFAR4DHFR
SCHEMBL6706308 0.85 TSHR (0.63) TSHRPTPN1FFAR1FFAR4DHFR
SCHEMBL31236972 0.84 PTPN1 (0.54) TSHRPTPN1FFAR1FFAR4DHFR
SCHEMBL6706305 0.84 FFAR1 (0.48) TSHRPTPN1FFAR1FFAR4DHFR
SCHEMBL3661269 0.84 THRA (0.52) TSHRALDH1A1PTPN1FFAR1FFAR4
SCHEMBL29402124 0.82 DHFR (0.48) TSHRPTPN1FFAR1FFAR4DHFR
SCHEMBL21098685 0.82 CYSLTR2 (0.53) TSHRFFAR1FFAR4HTTDHFR
SCHEMBL120379 0.82 DHFR (0.48) TSHRPTPN1FFAR1FFAR4DHFR
SCHEMBL25759920 0.82 MAOB (0.50) POLB
SCHEMBL8355715 0.82 PPARA (0.56) FFAR1DHFRPPARGPPARDPPARA

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
US-6664305-B2 Chromatography material and a process of manufacturing that material BIA SEPARATIONS D.O.O. (SI) 2003-12-16 — — US disclosed
US-20030125204-A1 Chromatography material and a process of manufacturing that material BIA SEPARATIONS D.O.O. (SI) 2003-07-03 — — US disclosed
EP-1294480-A1 A CHROMATOGRAPHY MATERIAL AND A PROCESS OF MANUFACTURING THAT MATERIAL Bia Separations D.O.O. (SI) 2003-03-26 — — EP disclosed
WO-2002000337-A1 A CHROMATOGRAPHY MATERIAL AND A PROCESS OF MANUFACTURING THAT MATERIAL BIA SEPARATIONS D.O.O. (SI) 2002-01-03 — — WO disclosed
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