SCHEMBL8682005

SCHEMBL8682005

O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
PSMB5 P28074 3/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
USP30 Q70CQ3 3/20 0.54
ALDH1A1 P00352 1/20 0.54
TACR1 P25103 1/20 0.52
ACE P12821 1/20 0.51
CAPN1 P07384 1/20 0.51
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL5487377 0.90 L3MBTL1 (0.61) L3MBTL1PSMB5MEN1KMT2ALMNA
SCHEMBL23221689 0.88 PSMB5 (0.60) L3MBTL1PSMB5MEN1KMT2ALMNA
SCHEMBL21583734 0.88 PSMB5 (0.60) L3MBTL1PSMB5MEN1KMT2ALMNA
SCHEMBL9237118 0.88 PSMB5 (0.60) L3MBTL1PSMB5MEN1KMT2ALMNA
SCHEMBL4889588 0.86 LMNA (0.71) L3MBTL1PSMB5MEN1KMT2ALMNA
SCHEMBL9716670 0.86 LMNA (0.71) L3MBTL1PSMB5MEN1KMT2ALMNA
SCHEMBL7778087 0.86 LMNA (0.71) L3MBTL1PSMB5MEN1KMT2ALMNA
SCHEMBL16452917 0.86 LMNA (0.71) L3MBTL1PSMB5MEN1KMT2ALMNA
SCHEMBL18775045 0.86 PSMB5 (0.60) PSMB5MEN1KMT2AALDH1A1TSHR
SCHEMBL24832472 0.86 L3MBTL1 (0.53) L3MBTL1PSMB5MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750696-A HYPOTENSIVE AGENTS JAPAN TOBACCO INC. (JP) 1998-05-12 US disclosed
EP-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 EP disclosed