SCHEMBL7280245

SCHEMBL7280245

O=C(O)C(CCCO)Cc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.52
FOLH1 Q04609 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
TGM2 P21980 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL7280252 1.00 CTNNB1 (0.52) CTNNB1FOLH1TDP1HRH4SLC1A3
SCHEMBL5953914 0.87 FOLH1 (0.66) CTNNB1FOLH1TDP1HRH4MME
SCHEMBL6677809 0.86 CTNNB1 (0.63) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL10521941 0.86 SIGMAR1 (0.53) CTNNB1FOLH1TDP1HRH4KMT2A
SCHEMBL10521472 0.85 SIGMAR1 (0.52) CTNNB1FOLH1TDP1HRH4KMT2A
SCHEMBL7268294 0.84 CTNNB1 (0.58) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL7287691 0.84 CTNNB1 (0.58) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL7267021 0.84 CTNNB1 (0.58) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL10521224 0.83 CTNNB1 (0.55) CTNNB1FOLH1TDP1HRH4SLC1A3
SCHEMBL9556717 0.83 CTNNB1 (0.48) CTNNB1FOLH1TDP1HRH4SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed