SCHEMBL11477331

SCHEMBL11477331

COC(=O)C(C)O.COC(=O)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA14 Q9ULX7 3/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CA12 O43570 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MME P08473 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.32
CA7 P43166 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
Propionic Acid SCHEMBL29156531 0.90 FFAR3 (0.37) TSHRSMN1; SMN2MGAMGAASI
Propylene Glycol SCHEMBL29154322 0.86 TDP1 (0.50) TSHRSMN1; SMN2HSD17B10CA14CA12
D-Lactic Acid SCHEMBL30797074 0.84 TP53 (0.52) TSHRMGAMGAASIMGAM2
Glycolic Acid SCHEMBL3891904 0.84 SMN1; SMN2 (0.39) TSHRSMN1; SMN2HSD17B10CA14CA12
Ethylene Glycol SCHEMBL28391202 0.83 SMN1; SMN2 (0.42) TSHRSMN1; SMN2CA14CA12MEN1
Alcohol SCHEMBL2688496 0.83 SMN1; SMN2 (0.42) TSHRSMN1; SMN2MGAMGAASI
SCHEMBL65010 0.83
SCHEMBL15512181 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL27382 0.83
SCHEMBL63918 0.83

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-4189439-A FLAVORANTS POLAK'S FRUTAL WORKS, B.V. (NL) 1980-02-19 US disclosed
US-4127592-A Process of the preparation of hydroxyfurenones POLAK'S FRUTAL WORKS, B.V. (NL) 1978-11-28 US disclosed