SCHEMBL8157792

SCHEMBL8157792

CCCOC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CCl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.43
SPPL2A Q8TCT8 1/20 0.43
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
ENPP2 Q13822 1/20 0.41
POLB P06746 1/20 0.41
CTRB1 P17538 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5650179 0.90 KLK5 (0.48) KLK5TRPM8CTSBSPPL2ACTRB1
SCHEMBL3023447 0.85 TRPM8 (0.58) KLK5TRPM8CTSKCTSBSPPL2A
SCHEMBL6500127 0.85 TRPM8 (0.58) KLK5TRPM8CTSKCTSBSPPL2A
SCHEMBL2577615 0.85 TRPM8 (0.58) KLK5TRPM8CTSKCTSBSPPL2A
SCHEMBL3023446 0.85 TRPM8 (0.58) KLK5TRPM8CTSKCTSBSPPL2A
SCHEMBL6654213 0.85 TRPM8 (0.58) KLK5TRPM8CTSKCTSBSPPL2A
SCHEMBL7458154 0.85 KLK5 (0.51) KLK5TRPM8PSEN1PSEN2APH1B
SCHEMBL7462812 0.85 KLK5 (0.51) KLK5TRPM8PSEN1PSEN2APH1B
SCHEMBL7492033 0.85 KLK5 (0.51) KLK5TRPM8PSEN1PSEN2APH1B
SCHEMBL7492515 0.85 KLK5 (0.51) KLK5TRPM8PSEN1PSEN2APH1B

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
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed