SCHEMBL8634471

SCHEMBL8634471

O=[C]C1Cc2ccccc2CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPY1R P25929 1/20 0.34
CASP1 P29466 1/20 0.34
NPY2R P49146 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 2/20 0.33
HTT P42858 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ANPEP P15144 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL2653890 0.72 HPGD (0.41) HPGDTSHRHSD17B10NISCHMAOA
SCHEMBL21810822 0.72 NPC1 (0.38) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2490658 0.69 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL8043188 0.69 MAOA (0.33) HPGDTSHRMAOAMAOB
SCHEMBL385635 0.69 IDO1 (0.41) IDO1ANPEPCA1CA2MTNR1A
SCHEMBL19230495 0.68 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL21576151 0.68 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL9424953 0.68 PLAU (0.43) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL17150851 0.68 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL7255269 0.68 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
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-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
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
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