SCHEMBL20180651

SCHEMBL20180651

CC(=O)OC(C)(C)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 2/20 0.40
ELANE P08246 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
PPARG P37231 6/20 0.40
PPARA Q07869 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 1/20 0.40
PPARD Q03181 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11130263 0.84 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4
SCHEMBL784043 0.82 ELANE (0.41) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4
Methacrylic Acid SCHEMBL10770984 0.78 ELANE (0.41) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4
SCHEMBL5850749 0.78 THRB (0.46) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4
SCHEMBL1660600 0.78 CA4 (0.48) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4
SCHEMBL7036896 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1ELANEPPARGPPARA
SCHEMBL7076942 0.77 HIF1A (0.37) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4
SCHEMBL7538702 0.76 PTGS2 (0.39) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4
SCHEMBL11513547 0.75 L3MBTL1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4
SCHEMBL13072375 0.75 PPARA (0.50) ALDH1A1KMT2AMEN1L3MBTL1CYP3A4

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
WO-2018093924-A1 CARBON MONOXIDE-RELEASING MOLECULES AND THERAPEUTIC APPLICATIONS THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-24 WO disclosed