SCHEMBL9517348

SCHEMBL9517348

CC(C)(NC(=O)OCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
SYK P43405 1/20 0.49
ATM Q13315 2/20 0.49
TACR1 P25103 1/20 0.48
CYP3A4 P08684 7/20 0.48
TSHR P16473 5/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
CTSB P07858 1/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTRB1 P17538 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
CASP1 P29466 1/20 0.46

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
SCHEMBL8248610 0.86 CTSS (0.54) CTSSCTSLSYKATMTACR1
SCHEMBL11921047 0.83 NPC1 (0.52) CTSSCTSLSYKATMTACR1
SCHEMBL11920721 0.82 CTSK (0.53) CTSSCTSLATMCTSBMEN1
SCHEMBL29860837 0.82 CTSB (0.52) CTSSCTSLATMCYP3A4CYP2C9
SCHEMBL8427919 0.82 MEN1 (0.53) CTSSSYKALDH1A1POLBMEN1
SCHEMBL29634392 0.81 CTRB1 (0.51) CTSSCTSLSYKCTSBMEN1
SCHEMBL31326042 0.81 MEN1 (0.52) CTSSCTSLSYKALDH1A1POLB
SCHEMBL8094326 0.81 MMP2 (0.57) CTSSCTSLSYKATMCYP3A4
SCHEMBL3100721 0.80 CTRB1 (0.54) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL8699825 0.80 CTSL (0.52) CTSSCTSLCTSBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333938-B1 2-HYDROXY-3-ARYLOXY-PROPYLAMINE DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-04-14 EP disclosed
US-5047425-A Amine derivatives having cardiovascular activity SIMES SOCIETA ITALIANA MEDICINALI & SINTETICI SPA (IT) 1991-09-10 US disclosed
EP-0333938-A1 2-Hydroxy-3-aryloxy-propylamine derivatives having cardiovascular activity ZAMBON GROUP S.p.A. (IT) 1989-09-27 EP disclosed