SCHEMBL4620167

SCHEMBL4620167

NCC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
HRH4 Q9H3N8 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CYP1A2 P05177 1/20 0.46
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
MTNR1A P48039 1/20 0.45
CA2 P00918 2/20 0.44
ACP3 P15309 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6677809 0.90 CTNNB1 (0.63) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL7287691 0.85 CTNNB1 (0.58) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL7267021 0.85 CTNNB1 (0.58) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL7268294 0.85 CTNNB1 (0.58) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL10477725 0.84 CTNNB1 (0.54) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL7352579 0.84 CYP1A2 (0.65) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL9194477 0.84 CPA1 (0.57) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL6444456 0.84 CTNNB1 (0.56) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL3814684 0.84 CTNNB1 (0.56) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL7429100 0.84 CPA1 (0.57) CTNNB1TDP1HRH4SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 EP claimed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 WO claimed
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO claimed
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 EP disclosed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 WO disclosed
EP-1572213-A1 METHOD OF TREATMENT OF TRANSPLANT REJECTION Pfizer Products Inc. (US) 2005-09-14 EP disclosed
WO-2004047843-A1 METHOD OF TREATMENT OF TRANSPLANT REJECTION PFIZER PRODUCTS INC. (US) 2004-06-10 WO disclosed