SCHEMBL6813638

SCHEMBL6813638

O=C(N[C@H](Cc1ccccc1)[C@H]1CO1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.52
PIN1 Q13526 1/20 0.47
CTSL P07711 4/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46
ACE P12821 2/20 0.45
CTSB P07858 1/20 0.44
PSMB5 P28074 1/20 0.44

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
SCHEMBL6818170 1.00 CTRB1 (0.52) CTRB1PIN1CTSLCTSSCTSK
SCHEMBL8620335 1.00 CTRB1 (0.52) CTRB1PIN1CTSLCTSSCTSK
SCHEMBL3508763 0.86 NPC1 (0.44) CTRB1NPC1RAB9A
SCHEMBL5930119 0.86 NPC1 (0.44) CTRB1NPC1RAB9A
SCHEMBL2437801 0.86 NPC1 (0.44) CTRB1NPC1RAB9A
SCHEMBL23092514 0.86 NPC1 (0.44) CTRB1NPC1RAB9A
SCHEMBL495878 0.86 NPC1 (0.44) CTRB1NPC1RAB9A
SCHEMBL2438588 0.86 NPC1 (0.44) CTRB1NPC1RAB9A
SCHEMBL21979446 0.86 NPC1 (0.44) CTRB1NPC1RAB9A
SCHEMBL13536301 0.84 NPC1 (0.41) CTRB1NPC1RAB9A

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-1052257-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE THREO-3-AMINO-1,2-EPOXY COMPOUNDS NIPPON KAYAKU KK (JP) 2004-03-31 EP disclosed