SCHEMBL5033810

SCHEMBL5033810

C=CC[C@H](Cc1ccccc1)NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.53
LMNA P02545 1/20 0.48
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PAM P19021 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX1 P07099 1/20 0.45
MME P08473 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL5043208 1.00 CTRB1 (0.53) CTRB1LMNAMMP2MMP3MMP7
SCHEMBL5033815 1.00 CTRB1 (0.53) CTRB1LMNAMMP2MMP3MMP7
SCHEMBL5036248 0.85 ACACB (0.51) MME
SCHEMBL5036948 0.85 ACACB (0.51) MME
SCHEMBL6319150 0.80 MAPK1 (0.69) CTRB1LMNACTSSCTSKPAM
SCHEMBL6529461 0.80 MAPK1 (0.69) CTRB1LMNACTSSCTSKPAM
SCHEMBL27904479 0.80 HPGD (0.58) CTRB1LMNACTSSCTSKPAM
SCHEMBL17305286 0.80 HPGD (0.58) CTRB1LMNACTSSCTSKPAM
SCHEMBL2089507 0.80 MAPK1 (0.69) CTRB1LMNACTSSCTSKPAM
SCHEMBL14756047 0.80 HPGD (0.58) CTRB1LMNACTSSCTSKPAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889903-A1 Biocatalysts with amine acylase activity Novartis AG (CH) 2008-02-20 EP disclosed
EP-0954571-B1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 2007-08-29 EP disclosed
US-6235516-B1 FROM RHODOCOCCUS GLOBERULUS, RHODOCOCCUS EQUI OR ARTHROBACTER AURESCENS NOVARTIS AG (CH) 2001-05-22 US disclosed
EP-0954571-A1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY Novartis AG (CH) 1999-11-10 EP disclosed
WO-1997041214-A1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 1997-11-06 WO disclosed