SCHEMBL11428754

SCHEMBL11428754

C=CCC1=CC(C(=O)OC)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR1A P08908 1/20 0.32
PTGS1 P23219 1/20 0.32
PKM P14618 1/20 0.31
BRD4 O60885 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2 P00734 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
SCHEMBL11428211 0.72 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL4966088 0.72
SCHEMBL10086842 0.72 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL8408673 0.72
Methane SCHEMBL11184882 0.70
SCHEMBL6445039 0.69
SCHEMBL18023461 0.68
SCHEMBL14601600 0.68
SCHEMBL14793076 0.66
SCHEMBL16467148 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4208533-A Synthesis of cyclopentanol HOFFMANN-LA ROCHE INC. (US) 1980-06-17 US claimed
US-4208533-A Synthesis of cyclopentanol HOFFMANN-LA ROCHE INC. (US) 1980-06-17 US disclosed
US-4159386-A Synthesis of cyclopentanol HOFFMANN-LA ROCHE INC. (US) 1979-06-26 US disclosed
US-4154963-A Prostaglandin intermediates HOFFMANN-LA ROCHE INC. (US) 1979-05-15 US disclosed
US-4089889-A Synthesis of cyclopentanol HOFFMANN-LA ROCHE INC. (US) 1978-05-16 US disclosed
US-4074045-A 2H-cyclopenta b!furan-2-ones and process for preparation HOFFMANN-LA ROCHE INC. (US) 1978-02-14 US disclosed
US-4070378-A Synthesis cyclopentanol HOFFMANN-LA ROCHE, INC. (US) 1978-01-24 US disclosed
US-4059577-A Synthesis of cyclopentanol HOFFMANN-LA ROCHE, INC. (US) 1977-11-22 US disclosed
US-4044005-A Peroxides of 2-oxo-cyclopenta[b]furans HOFFMANN-LA ROCHE INC. (US) 1977-08-23 US disclosed
US-4032520-A SYNTHESIS OF CYCLOPENTANOL KIENZLE FRANK 1977-06-28 US disclosed
US-4029674-A 2-Oxo-2H cyclopenta[b]furans HOFFMANN-LA ROCHE INC. (US) 1977-06-14 US disclosed
US-4005110-A 2H-Cyclopenta(b)furan-2-ones HOFFMANN-LA ROCHE INC. (US) 1977-01-25 US disclosed
US-4001281-A 2-Oxo-cyclopenta[b]furan-5α-carboxylic acid esters HOFFMANN-LA ROCHE INC. (US) 1977-01-04 US disclosed