SCHEMBL11269418

SCHEMBL11269418

C[C@@H](Nc1nc2cc3ccccc3cc2o1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
ELANE P08246 9/20 0.45
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
UTRN P46939 1/20 0.38

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
SCHEMBL11254785 0.87 ELANE (0.40) ALDH1A1ELANEHSD17B10HDAC6S1PR3
SCHEMBL11255199 0.86 FFAR2 (0.46) S1PR4S1PR3GAARAB9A
SCHEMBL11099522 0.84 NPC1 (0.54) ALDH1A1ELANEUSP2LMNAHSD17B10
SCHEMBL16972933 0.84 NPC1 (0.54) ALDH1A1ELANEUSP2LMNAHSD17B10
SCHEMBL16972931 0.84 NPC1 (0.54) ALDH1A1ELANEUSP2LMNAHSD17B10
SCHEMBL11098158 0.83 SMN1; SMN2 (0.45) ALDH1A1ELANEHSD17B10NPC1GAA
SCHEMBL11102900 0.82 HDAC8 (0.45) ALDH1A1ELANEUSP2LMNAHSD17B10
SCHEMBL11100838 0.81 RAB9A (0.51) ALDH1A1HSD17B10HDAC6S1PR3NPC1
SCHEMBL11099439 0.80 FFAR2 (0.58) ALDH1A1LMNAS1PR3NPC1GAA
SCHEMBL11256231 0.77 ELANE (0.50) ALDH1A1ELANEUSP2LMNAHSD17B10

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-4318905-A Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues SYNTEX (U.S.A.) INC. (US) 1982-03-09 US disclosed
EP-0042753-A1 Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1981-12-30 EP disclosed