SCHEMBL25548346

SCHEMBL25548346

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 3/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ADRB2 P07550 4/20 0.39
ADRB1 P08588 3/20 0.39
HTR1A P08908 2/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL25548814 0.85 ALDH1A1 (0.83) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL23832195 0.85 ALDH1A1 (0.83) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2741225 0.73 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11045241 0.72 ALDH1A1 (0.87) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8992679 0.71 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11593471 0.68 ALDH1A1 (0.85) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11594572 0.68 ALDH1A1 (0.85) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL16134417 0.68 PTGS1 (0.45) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11330679 0.68 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5541239 0.68 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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