SCHEMBL11243320

SCHEMBL11243320

CCOCCc1cc(OC)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.44
AKR1C2 P52895 8/20 0.44
APP P05067 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 3/20 0.44
FOLH1 Q04609 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL1988245 0.84 AKR1C3 (0.49) AKR1C3AKR1C2SMN1; SMN2HSD17B10KDM4E
SCHEMBL8862146 0.83 HCAR3 (0.46) KDM4EPOLBKMT2A
SCHEMBL31702789 0.83 HCAR3 (0.46) KDM4EPOLBKMT2A
SCHEMBL687106 0.82 KDM4E (0.53) AKR1C3AKR1C2SMN1; SMN2HSD17B10KDM4E
SCHEMBL1990568 0.82 HPSE (0.51) AKR1C3AKR1C2SMN1; SMN2HSD17B10KDM4E
SCHEMBL4294900 0.81 SMN1; SMN2 (0.53) AKR1C3AKR1C2SMN1; SMN2HSD17B10KDM4E
SCHEMBL8627436 0.81 HPSE (0.50) AKR1C3AKR1C2SMN1; SMN2HSD17B10KDM4E
SCHEMBL1987832 0.81 PPARA (0.56)
SCHEMBL13734817 0.80 KDM4E (0.46) AKR1C3AKR1C2APPSMN1; SMN2HSD17B10
Alcohol SCHEMBL28006228 0.80 SMN1; SMN2 (0.54) AKR1C3AKR1C2SMN1; SMN2HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336360-A IN THE PRESENCE OF A CATALYST COMPLEX MONTECATINI EDISON S.P.A. (IT) 1982-06-22 US disclosed
US-4187196-A REACTING HALOGENATED TITANIUM COMPOUND WITH MAGNESIUM OR MANGANESE DIHALIDE MONTEDISON S.P.A. (IT) 1980-02-05 US disclosed
US-4156063-A USING A CATALYST CONTAINING THE REACTION PRODUCT OF AN ALUMINUM COMPOUND AND AN ESTER WITH A SUPPORT CONTAINING THE REACTION PRODUCT OF A TITANIUM COMPOUND AND A MAGNESIUM OR MANGANESE BIHALIDE Montecanti Edison, S.p.A. (IT) 1979-05-22 US disclosed
US-4107414-A Process for the stereoregular polymerization of alpha olefins MONTECATINI EDISON S.P.A. (IT) 1978-08-15 US disclosed