SCHEMBL8536562

SCHEMBL8536562

O=C(N[C@@H](Cc1ccccc1)[C@H](O)CO)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.60
CTRB1 P17538 2/20 0.58
CTSB P07858 2/20 0.57
TACR1 P25103 3/20 0.52
CTSL P07711 3/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
SPPL2A Q8TCT8 1/20 0.51
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
F2 P00734 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
ATM Q13315 1/20 0.48
CTSD P07339 1/20 0.47
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL6810019 1.00 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL8536514 1.00 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL6347062 1.00 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL6812568 1.00 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL5889247 0.87 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL3023446 0.87 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL2577615 0.87 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL6330557 0.87 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL9058446 0.87 KLK5 (0.49) TRPM8CTRB1CTSBCTSLALDH1A1
SCHEMBL13534717 0.87 TRPM8 (0.52) TRPM8CTRB1CTSBCTSLCTSS

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-0670305-B1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXY-1-PROPANOL DERIVATIVE KANEKA CORP (JP) 1998-05-20 EP claimed
US-5744630-A Method of producing 3-amino-2-hydroxy-1-propanol derivatives KANEKA CORPORATION (JP) 1998-04-28 US claimed
EP-0670305-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXY-1-PROPANOL DERIVATIVE KANEKA CORPORATION (JP) 1995-09-06 EP claimed
EP-0670305-B1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXY-1-PROPANOL DERIVATIVE KANEKA CORP (JP) 1998-05-20 EP disclosed
US-5744630-A Method of producing 3-amino-2-hydroxy-1-propanol derivatives KANEKA CORPORATION (JP) 1998-04-28 US disclosed
EP-0670305-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXY-1-PROPANOL DERIVATIVE KANEKA CORPORATION (JP) 1995-09-06 EP disclosed