SCHEMBL8917182

SCHEMBL8917182

O=C(O)C1C=CC(C(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.46
EDNRB P24530 2/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ALOX15 P16050 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL17686902 0.87 EDNRA (0.38) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL29401941 0.80 EDNRA (0.39) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL63928 0.80 EDNRA (0.39) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL17686905 0.78 MEN1 (0.33) EDNRAEDNRBMEN1KMT2AALOX15
Ammonia Solution, Strong SCHEMBL28107850 0.78 EDNRA (0.38) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL28970647 0.78 EDNRA (0.38) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL6272602 0.77 EDNRA (0.37) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL9245713 0.75 CYP2C9 (0.39) EDNRAEDNRBMEN1KMT2ATSHR
SCHEMBL11157224 0.75 EDNRA (0.36) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL31141576 0.75 TSHR (0.40) EDNRAMEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591893-A Process for the preparation of polycarboxylic acids and derivatives thereof HOECHST AG (DE) 1997-01-07 US claimed
US-20090061267-A1 POWER DEVICE AND OXYGEN GENERATOR BATTELLE MEMORIAL INSTITUTE (US) 2009-03-05 US disclosed
US-20090061267-A1 POWER DEVICE AND OXYGEN GENERATOR BATTELLE MEMORIAL INSTITUTE (US) 2009-03-05 US disclosed
US-5591893-A Process for the preparation of polycarboxylic acids and derivatives thereof HOECHST AG (DE) 1997-01-07 US disclosed
EP-0513600-B1 Process for preparing polycarboxylic acids and their derivatives HOECHST AG (DE) 1995-01-11 EP disclosed
EP-0513600-A2 Process for preparing polycarboxylic acids and their derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-19 EP disclosed