SCHEMBL9510197

SCHEMBL9510197

CCOC(=O)C(CC1CO1)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.31

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
SCHEMBL30707261 0.91 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TDP1HPGD
SCHEMBL27510653 0.86 ALDH1A1 (0.51) ALDH1A1TP53CYP3A4
SCHEMBL4013628 0.81 HTT (0.39) ALDH1A1LMNAHSD17B10HPGDKMT2A
SCHEMBL9255618 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4138474 0.78 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10TDP1KMT2A
SCHEMBL9515535 0.77 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKMT2AMAPT
SCHEMBL4139331 0.75 L3MBTL1 (0.36) ALDH1A1LMNAHSD17B10NPSR1L3MBTL1
SCHEMBL28326330 0.75 ALDH1A1 (0.47) ALDH1A1TDP1HPGDKMT2AL3MBTL1
SCHEMBL8784684 0.74 METAP2 (0.40) ALDH1A1NPSR1L3MBTL1
SCHEMBL13243290 0.72 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10TDP1HPGD

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
EP-0559789-A1 PROCESS FOR THE PREPARATION OF $g(a)-ALKYL LACTONES HENKEL CORPORATION (US) 1993-09-15 EP disclosed
WO-1992010487-A1 PROCESS FOR CONVERTING α-ACYL-SUBSTITUTED LACTONES TO α-ALKYLIDENE-SUBSTITUTED LACTONES HENKEL CORPORATION (US) 1992-06-25 WO disclosed
WO-1992009590-A1 PROCESS FOR THE PREPARATION OF α-ALKYL LACTONES HENKEL CORPORATION (US) 1992-06-11 WO disclosed
EP-0348549-A1 Improved process for the preparation of substituted furanones QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) 1990-01-03 EP disclosed