SCHEMBL5514730

SCHEMBL5514730

CCC(NC(CC)(Oc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MME P08473 7/20 0.38
ACE P12821 6/20 0.38
CPA1 P15085 6/20 0.38
ACE2 Q9BYF1 6/20 0.38
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
GPR132 Q9UNW8 1/20 0.36
FPR2 P25090 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 2/20 0.35

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
SCHEMBL5513626 0.80 ALDH1A1 (0.38) POLBNPSR1L3MBTL1MMEGRN
SCHEMBL5524140 0.78 MME (0.40) MMEACECPA1ACE2PRSS1
SCHEMBL5515773 0.77 PRSS1 (0.40) MMEPRSS1CTSGCTRB1CMA1
SCHEMBL11560111 0.76 NPSR1 (0.43) NPSR1L3MBTL1MAPTPPARGPPARA
SCHEMBL1096852 0.75 POLB (0.47) POLBNPSR1L3MBTL1PRSS1CTSG
SCHEMBL8071295 0.74 RIPK1 (0.45) NPSR1L3MBTL1KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL10589406 0.72 RIPK1 (0.44) NPSR1L3MBTL1KDM4EMAPTALDH1A1
SCHEMBL8604298 0.71 CYP1A2 (0.57) POLBMMEACECPA1ACE2
SCHEMBL9330596 0.70 CYP2D6 (0.60) MAPTSMN1; SMN2
SCHEMBL2742288 0.70 KCNN4 (0.46) POLBNPSR1L3MBTL1MMEACE

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-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed