SCHEMBL7961617

SCHEMBL7961617

COC(=O)CC1OC(=O)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
USP2 O75604 1/20 0.40
BRD4 O60885 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.34
MIF P14174 5/20 0.33
HPGD P15428 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PSMB5 P28074 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7901001 0.76 TSHR (0.43) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL27380646 0.69 GAA (0.43) GAAUSP2BRD4TSHRALDH1A1
SCHEMBL16950194 0.69 TSHR (0.42) GAAUSP2BRD4TSHRALDH1A1
SCHEMBL7964375 0.68 BRD4 (0.34) BRD4TSHRALDH1A1KMT2AHSD17B10
SCHEMBL8584608 0.68 CYP1A2 (0.45) GAAUSP2BRD4MIFHDAC6
SCHEMBL5924307 0.67 AKT1 (0.39) SMN1; SMN2
SCHEMBL7961619 0.67 GAA (0.42) GAAUSP2BRD4TSHRALDH1A1
SCHEMBL17070546 0.66 USP2 (0.41) GAAUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL9943510 0.66 BRD4 (0.41) BRD4MIFHDAC6
SCHEMBL1844172 0.65 GAA (0.40) GAAUSP2BRD4TSHRALDH1A1

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