SCHEMBL19520172

SCHEMBL19520172

CCCCC[C@@H](C)C(=O)O[C@H](CC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ASAH1 Q13510 1/20 0.43
ACER2 Q5QJU3 1/20 0.43
POLB P06746 1/20 0.43
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CTSK P43235 2/20 0.41
CA1 P00915 1/20 0.40
NAAA Q02083 2/20 0.40

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
SCHEMBL19024881 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3ALDH1A1NPC1
SCHEMBL19024683 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3ALDH1A1NPC1
SCHEMBL19024832 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3ALDH1A1NPC1
SCHEMBL19024950 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3ALDH1A1NPC1
SCHEMBL19024626 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3ALDH1A1NPC1
SCHEMBL19024685 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3ALDH1A1NPC1
SCHEMBL19024912 0.87 PRSS1 (0.48) PRSS1PRSS2PRSS3ALDH1A1NPC1
SCHEMBL19024882 0.86 PRSS1 (0.47) PRSS1PRSS2PRSS3ALDH1A1POLB
SCHEMBL28405618 0.85 ALDH1A1 (0.48) PRSS1PRSS2PRSS3ALDH1A1ASAH1
SCHEMBL28405619 0.85 ALDH1A1 (0.48) PRSS1PRSS2PRSS3ALDH1A1ASAH1

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
EP-3321265-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2018-05-16 EP disclosed
EP-3097102-B1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed