SCHEMBL25548814

SCHEMBL25548814

C=CCc1ccc(OCC(O)COCCO)c(OC)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.83
MEN1 O00255 4/20 0.83
KMT2A Q03164 4/20 0.83
MAPT P10636 4/20 0.83
SMN1; SMN2 Q16637 3/20 0.83
LMNA P02545 3/20 0.83
HTT P42858 2/20 0.83
KDM4E B2RXH2 2/20 0.83
GAA P10253 1/20 0.83
TSHR P16473 2/20 0.80
NPC1 O15118 2/20 0.80
TP53 P04637 1/20 0.80
RAB9A P51151 1/20 0.80
PPARA Q07869 3/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
PKM P14618 1/20 0.55
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL23832195 1.00 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11045241 0.87 ALDH1A1 (0.87) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL25548346 0.85 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11330679 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11594572 0.84 ALDH1A1 (0.85) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11593471 0.84 ALDH1A1 (0.85) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28224427 0.82 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24813508 0.80 PPARA (0.70) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21793229 0.80 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30001190 0.80 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152226-A1 OPTICAL SENSORS LUMIRADX UK LTD (GB) 2023-05-18 US disclosed