SCHEMBL7961619

SCHEMBL7961619

COC(=O)CC1OC(=O)C=C1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.35
MIF P14174 4/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSP90AB1 P08238 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 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
SCHEMBL1844172 0.80 GAA (0.40) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL12410539 0.73 ALDH1A1 (0.36) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL16950194 0.71 TSHR (0.42) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL21485110 0.70 GAA (0.37) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL7964378 0.69 ALDH1A1 (0.41) ALDH1A1BRD4MIFMAPT
SCHEMBL7961617 0.67 GAA (0.40) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL7403091 0.66 LMNA (0.59) TSHRALDH1A1SMN1; SMN2HSD17B10HTT
SCHEMBL17070546 0.65 USP2 (0.41) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL10932127 0.62 CYP2D6 (0.41) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL18916559 0.62 GLS (0.47) GAAUSP2TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6215016-B1 HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA TORAY INDUSTRIES, INC. (JP) 2001-04-10 US disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP disclosed