SCHEMBL10708795

SCHEMBL10708795

CCC(CO)C(=O)Oc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8633653 0.81 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL15670510 0.78 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL15670665 0.76 ALDH1A1 (0.41) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL28403676 0.75 MMP1 (0.40) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL27638534 0.73 ATM (0.47) ALDH1A1KMT2AMAPTL3MBTL1GAA
SCHEMBL5041398 0.73 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL10973674 0.73 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL5656608 0.73 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL4223881 0.73 MMP1 (0.41) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL6324049 0.73 MMP1 (0.46) MMP1MMP9MMP12ALDH1A1KMT2A

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-0128584-B1 DIHYDROFURAN DERIVATES USEFUL AS AROMA CHEMICALS, AND PROCESS FOR THEIR PREPARATION QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) 1988-10-26 EP disclosed
US-4681703-A Alkyl substituted-2,3-dihydrofuran fragrance compositions NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1987-07-21 US disclosed
US-4636571-A ORGANOLEPTIC NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1987-01-13 US disclosed
US-4515978-A Dihydrofurans NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-05-07 US disclosed