SCHEMBL8985019

SCHEMBL8985019

CCCCCCCCC1=CC(=O)OC1(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
ALOX5 P09917 9/20 0.37
CDC25B P30305 8/20 0.37
MPEG1 Q2M385 7/20 0.37
CDC25A P30304 6/20 0.37
CDC25C P30307 5/20 0.37
PTPN1 P18031 3/20 0.37
XIAP P98170 2/20 0.37
GPR84 Q9NQS5 2/20 0.37
ACP1 P24666 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PTGES O14684 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL8985102 0.78 LMNA (0.33) ACHEALDH1A1MAPTHPGDKMT2A
SCHEMBL4652217 0.74 THRA (0.37) ACHEBACE1ALOX5CDC25BMPEG1
SCHEMBL4651440 0.74 THRA (0.37) ACHEBACE1ALOX5CDC25BMPEG1
SCHEMBL6137792 0.71 EPHX1 (0.39) ACHEBACE1CDC25BCDC25ACDC25C
SCHEMBL5565195 0.69 TDP1 (0.43) ACHEBACE1ALOX5CDC25BPTPN1
SCHEMBL11220616 0.67 ACHE (0.45) ACHEBACE1ALOX5CDC25BCDC25A
SCHEMBL8914982 0.63 TDP1 (0.38) ACHEBACE1ALOX5CDC25BPTPN1
SCHEMBL6543575 0.61 ACHE (0.50) ACHEBACE1ALOX5CDC25BCDC25A
SCHEMBL7029057 0.61 ACHE (0.50) ACHEBACE1ALOX5CDC25BCDC25A
SCHEMBL4372749 0.61 ACHE (0.50) ACHEBACE1ALOX5CDC25BCDC25A

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-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
EP-0524979-A4 2(5H)-FURANONES SUBSTITUTED IN THE 5 AND OR IN THE 4 POSITION, AS ANTI-INFLAMMATORY AGENTS 1993-03-10 EP disclosed
EP-0524979-A1 2(5H)-FURANONES SUBSTITUTED IN THE 5 AND OR IN THE 4 POSITION, AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1993-02-03 EP disclosed
WO-1991016055-A1 2(5H)-FURANONES SUBSTITUTED IN THE 5 AND OR IN THE 4 POSITION, AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1991-10-31 WO disclosed