SCHEMBL6861888

SCHEMBL6861888

CN(c1ccc(C(O)C2CO2)c(C#N)c1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
CSF1R P07333 1/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30
NR3C1 P04150 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6857706 0.81 NPSR1 (0.39) PGRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6864231 0.72 NR3C1 (0.47) PGRMEN1KMT2AALDH1A1NR3C1
SCHEMBL6863864 0.72 MEN1 (0.39) PGRCSF1RSMN1; SMN2MEN1KMT2A
SCHEMBL1628532 0.70 NPSR1 (0.42) PGRCSF1RSMN1; SMN2MEN1KMT2A
SCHEMBL6862061 0.67 ALDH1A1 (0.49) PGRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6857886 0.66 MLYCD (0.43) PGRCSF1RNPC1RAB9ASMN1; SMN2
SCHEMBL1291291 0.60 ALDH1A1 (0.47) PGRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6151699 0.59 SLC6A4 (0.46) ALDH1A1LMNA
SCHEMBL12017943 0.58 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4207749 0.58 ALDH1A1 (0.59) PGRSMN1; SMN2MEN1KMT2AALDH1A1

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
EP-0973730-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-06-16 EP disclosed
US-6294531-B1 AMINOALKANOLS AS BLOOD COAGULANTS SMITHKLINE BEECHAM CORPORATION 2001-09-25 US disclosed
EP-0973730-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-26 EP disclosed
WO-1998045255-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-15 WO disclosed