SCHEMBL8985099

SCHEMBL8985099

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
NR4A2 P43354 3/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
DRD1 P21728 1/20 0.38
PTGIR P43119 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 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
SCHEMBL9326904 0.93 LMNA (0.42) LMNAMAPK1PRKCAPDCD4PTPN1
SCHEMBL9282825 0.91 PPARG (0.39) LMNAPTGER4PTGER2PRKCAPDCD4
SCHEMBL8985047 0.90 PRKCA (0.40) LMNAPRKCAPDCD4PTPN1
SCHEMBL9745619 0.89 PRKCA (0.37) LMNAMAPK1PRKCAPDCD4PTPN1
SCHEMBL9327053 0.86 PTPN1 (0.43) PRKCAPTPN1
SCHEMBL9327478 0.85 PTPN1 (0.42) MEN1HPGDKMT2APRKCAPTPN1
SCHEMBL9671370 0.84 PTPN1 (0.46) PTPN1
SCHEMBL9749601 0.84 S1PR1 (0.39) FFAR4FFAR1NR4A2LMNATSHR
SCHEMBL9669841 0.84 PDCD4 (0.36) FFAR4FFAR1NR4A2LMNATSHR
SCHEMBL8985076 0.83 PDCD4 (0.47) PDCD4

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 6 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