SCHEMBL7438004

SCHEMBL7438004

CC(c1ccccc1)C(Br)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MME P08473 1/20 0.42
MEN1 O00255 1/20 0.42
CTSB P07858 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MMP9 P14780 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
SCHEMBL14866814 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL9629339 0.83 MMP8 (0.51) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL13168131 0.82 CYP1A2 (0.41) ALDH1A1KMT2AMMEMEN1TSHR
SCHEMBL15047142 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL952559 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL952558 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL953323 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL30148056 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL23464708 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12634626 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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-5312826-A Dicarboxylic acids with hypotensive agents and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
EP-0519738-A1 Dicarboxylic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-12-23 EP disclosed