SCHEMBL7112200

SCHEMBL7112200

CCC(C(=O)OC)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 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
SCHEMBL31477291 0.88 ALDH1A1 (0.43) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL15270484 0.88 MMP8 (0.44) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL17798382 0.86 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL31477670 0.86 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL6925400 0.85 ALDH1A1 (0.44) ALDH1A1MAPTPOLBKMT2A
SCHEMBL18754138 0.85 KCNA5 (0.48) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL2029513 0.84 ALDH1A1 (0.41) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL14445159 0.84 KMT2A (0.42) ALDH1A1MAPTPOLBKDM4EMAPK1
Propionic Acid SCHEMBL31477215 0.83 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL2847713 0.83 LMNA (0.46) MAPTKDM4EGAALMNAPKM

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
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed