SCHEMBL4824304

SCHEMBL4824304

O=C(CNc1ccccc1)N[C@@H](CSCC1(c2cccc3c2oc2ccccc23)C=CC(c2ccccc2)=CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.36
NPSR1 Q6W5P4 4/20 0.31
RXFP1 Q9HBX9 4/20 0.31
PPARG P37231 3/20 0.31
MEN1 O00255 3/20 0.31
TSHR P16473 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
NCOA2 Q15596 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOR2 Q9Y618 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CREBBP Q92793 1/20 0.30
C3AR1 Q16581 1/20 0.30

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
SCHEMBL5200688 0.84 PPARA (0.42) ICMTPPARGTSHR
SCHEMBL4824300 0.78 ICMT (0.38) ICMTNPSR1RXFP1PPARGMEN1
SCHEMBL3871885 0.72 ACE (0.44) ICMTPPARGC3AR1
SCHEMBL4825384 0.72 ACE (0.44) ICMTPPARGC3AR1
SCHEMBL5780394 0.70 ALDH1A1 (0.35) PPARGMEN1TSHRKMT2AALDH1A1
SCHEMBL5262506 0.69 EPHX2 (0.33) ICMTPPARGMEN1KMT2A
SCHEMBL5783679 0.68 PPARA (0.41) ICMTPPARGMEN1TSHRKMT2A
SCHEMBL5764439 0.68 MAPT (0.33) MAPTALDH1A1
SCHEMBL4824631 0.68 PPARA (0.42) PPARGMEN1KMT2APOLB
SCHEMBL5781491 0.67 ACE (0.37) ICMTPPARGMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed