SCHEMBL17047324

SCHEMBL17047324

C[C@H](NC(=O)c1ccc2cc3ccccc3cc2c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
PIN1 Q13526 5/20 0.50
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
CASP1 P29466 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL23474547 0.95 ALDH1A1 (0.55) ALDH1A1PIN1CA2CA1CASP1
SCHEMBL7397052 0.83 CASP1 (0.61) PIN1CASP1
SCHEMBL16576531 0.82 CASP1 (0.48) CASP1NPC1RAB9AHDAC3HDAC1
SCHEMBL18064460 0.82 CASP1 (0.48) CASP1NPC1RAB9AHDAC3HDAC1
SCHEMBL7477122 0.80 NPC1 (0.56) ALDH1A1PIN1NPC1RAB9AHDAC3
SCHEMBL7405698 0.80 NPSR1 (0.56) PIN1CA2CA1CASP1
SCHEMBL2796740 0.79 CA1 (0.62) ALDH1A1CA2CA1RAB9AHDAC3
SCHEMBL698880 0.79 CA1 (0.62) ALDH1A1CA2CA1RAB9AHDAC3
SCHEMBL698879 0.79 CA1 (0.62) ALDH1A1CA2CA1RAB9AHDAC3
SCHEMBL11103451 0.79 CA2 (0.71) ALDH1A1CA2CA1NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110828-B1 CONTINUOUS FLOW PEPTIDE SYNTHESIS UNIV SZEGEDI (HU) 2020-12-09 EP claimed
EP-3110828-A1 CONTINUOUS FLOW PEPTIDE SYNTHESIS Szegedi Tudományegyetem (HU) 2017-01-04 EP claimed
WO-2015128687-A1 CONTINUOUS FLOW PEPTIDE SYNTHESIS Szegedi Tudományegyetem (HU) 2015-09-03 WO claimed
EP-3110828-B1 CONTINUOUS FLOW PEPTIDE SYNTHESIS UNIV SZEGEDI (HU) 2020-12-09 EP disclosed
EP-3110828-A1 CONTINUOUS FLOW PEPTIDE SYNTHESIS Szegedi Tudományegyetem (HU) 2017-01-04 EP disclosed
WO-2015128687-A1 CONTINUOUS FLOW PEPTIDE SYNTHESIS Szegedi Tudományegyetem (HU) 2015-09-03 WO disclosed