SCHEMBL20104885

SCHEMBL20104885

CC(C)CCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL254152 0.92 SMN1; SMN2 (0.48) FOLH1SMN1; SMN2TP53ALDH1A1SIGMAR1
SCHEMBL23824133 0.91 SMN1; SMN2 (0.49) FOLH1SMN1; SMN2TP53ALDH1A1SIGMAR1
SCHEMBL13028392 0.87 SMN1; SMN2 (0.43) FOLH1SMN1; SMN2TP53ALDH1A1SIGMAR1
SCHEMBL29299819 0.87 FOLH1 (0.51) FOLH1SMN1; SMN2TP53
SCHEMBL24590552 0.87 SMN1; SMN2 (0.50) FOLH1SMN1; SMN2TP53ALDH1A1SIGMAR1
SCHEMBL29299673 0.86 FOLH1 (0.45) FOLH1SMN1; SMN2TP53ALDH1A1SIGMAR1
SCHEMBL29299828 0.85 FOLH1 (0.48) FOLH1SMN1; SMN2TP53ALDH1A1
SCHEMBL29299679 0.84 ALDH1A1 (0.45) FOLH1SMN1; SMN2TP53ALDH1A1SIGMAR1
SCHEMBL26414594 0.84 FOLH1 (0.43) FOLH1SMN1; SMN2ALDH1A1
SCHEMBL29299829 0.82 SMN1; SMN2 (0.46) FOLH1SMN1; SMN2TP53ALDH1A1SIGMAR1

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-2459565-B1 SAXITOXIN DERIVATIVES, METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN UNIV LELAND STANFORD JUNIOR (US) 2018-05-02 EP disclosed