SCHEMBL8985047

SCHEMBL8985047

CCCCCCCCCCCCC(OC(=O)CCCBr)C1=CC(=O)OC1O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 10/20 0.40
PDCD4 Q53EL6 2/20 0.37
PTPN1 P18031 1/20 0.37
LMNA P02545 2/20 0.37
CTSK P43235 1/20 0.36

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
SCHEMBL9326904 0.94 LMNA (0.42) PRKCAPDCD4PTPN1LMNA
SCHEMBL9282825 0.90 PPARG (0.39) PRKCAPDCD4LMNA
SCHEMBL9745619 0.90 PRKCA (0.37) PRKCAPDCD4PTPN1LMNA
SCHEMBL8985099 0.90 FFAR4 (0.38) PRKCAPDCD4PTPN1LMNA
SCHEMBL9327053 0.85 PTPN1 (0.43) PRKCAPTPN1
SCHEMBL8985076 0.84 PDCD4 (0.47) PDCD4
SCHEMBL7294590 0.84 PDCD4 (0.47) PDCD4
SCHEMBL9671381 0.84 PDCD4 (0.47) PDCD4
SCHEMBL14339054 0.84 PDCD4 (0.47) PDCD4
SCHEMBL9327478 0.84 PTPN1 (0.42) PRKCAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US claimed
US-5541221-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN (US) 1996-07-30 US disclosed
EP-0637240-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES FOR INHIBITING BONE LOSS ALLERGAN, INC. (US) 1995-02-08 EP disclosed
US-5387606-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN, INC. (US) 1995-02-07 US disclosed
US-5268387-A Containing ester or carbamate group ALLERGAN, INC. (US) 1993-12-07 US disclosed
WO-1993021915-A1 PHARMACEUTICAL COMPOSITIONS FOR INHIBITING BONE LOSS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES ALLERGAN, INC. (US) 1993-11-11 WO disclosed
US-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0369811-A2 Anti-inflammatory furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed