SCHEMBL9685950

SCHEMBL9685950

CCCCCOc1ccc(C2OC(=O)CC(=O)O2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CRBN Q96SW2 1/20 0.47
NR5A1 Q13285 1/20 0.45
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
LTA4H P09960 2/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL31483389 0.97 NPC1 (0.51) LMNANPC1MAOAMAOBCRBN
SCHEMBL31483452 0.91 ALDH1A1 (0.52) LMNANPC1MAOAMAOBCRBN
SCHEMBL9717102 0.82 CA12 (0.43) LMNANPC1MAOAMAOBCRBN
SCHEMBL31483358 0.82 CA12 (0.42) NPC1TSHR
SCHEMBL8421512 0.80 NPC1 (0.36) LMNANPC1MAOAMAOBCRBN
SCHEMBL31483398 0.78 BRD4 (0.42) LMNANPC1MAOAMAOBTSHR
SCHEMBL10757930 0.77 NR5A1 (0.53) LMNANPC1MAOAMAOBNR5A1
SCHEMBL8754519 0.76 LMNA (0.51) LMNANPC1CRBNNR5A1TP53
SCHEMBL3428777 0.76 LMNA (0.52) LMNANPC1MAOAMAOBCRBN
SCHEMBL8425372 0.75 ALDH1A1 (0.43) LMNATP53TSHRMAPTALDH1A1

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
EP-0518769-A1 Ethanolaminebenzoate derivative, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-12-16 EP disclosed