SCHEMBL8633734

SCHEMBL8633734

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2CO1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.43
ROCK2 O75116 1/20 0.43
UCHL1 P09936 2/20 0.42
AVPR2 P30518 1/20 0.41
EPHX2 P34913 1/20 0.41
PREP P48147 6/20 0.40
KLK5 Q9Y337 1/20 0.39
FKBP1A P62942 1/20 0.38
OPRD1 P41143 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8636416 0.78 F2 (0.43) KLK7ROCK2UCHL1AVPR2EPHX2
Cyclohexylamine SCHEMBL8634493 0.77 F2 (0.44) PREP
SCHEMBL9543472 0.72 PTPN1 (0.52) KLK7UCHL1EPHX2KLK5OPRD1
SCHEMBL9543464 0.72 PTPN1 (0.52) KLK7UCHL1EPHX2KLK5OPRD1
SCHEMBL9543253 0.72 PTPN1 (0.52) KLK7UCHL1EPHX2KLK5OPRD1
SCHEMBL7429992 0.72 ALDH1A1 (0.69) KLK7UCHL1EPHX2MEN1KMT2A
SCHEMBL10522061 0.70 PREP (0.64) KLK7PREPKLK5FKBP1A
SCHEMBL27410636 0.70 HSD17B10 (0.52) KLK7ROCK2UCHL1PREPKLK5
SCHEMBL7303538 0.69 F2 (0.49) PREP
SCHEMBL7303542 0.69 F2 (0.49) PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
EP-0629212-B1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF GYOGYSZERKUTATO INTEZET (HU) 1997-10-08 EP disclosed
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 WO disclosed