SCHEMBL9554641

SCHEMBL9554641

CCOC(=O)C(C(=O)OCC)(c1ccco1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 4/20 0.39
PIN1 Q13526 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
PKM P14618 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADORA2B P29275 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL23163299 0.80 MAPT (0.41) POLBTDP1L3MBTL1MAPTPIN1
SCHEMBL9554649 0.76 ADORA2B (0.38) L3MBTL1MAPTALDH1A1NPC1RAB9A
SCHEMBL16732173 0.74 PIN1 (0.50) POLBTDP1MAPTPIN1ALDH1A1
SCHEMBL9554861 0.70 L3MBTL1 (0.51) POLBTDP1L3MBTL1MAPTPIN1
SCHEMBL12390099 0.70 MAPT (0.38) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL4236408 0.69 L3MBTL1 (0.50) POLBTDP1L3MBTL1MAPTPIN1
SCHEMBL74549 0.69 MAPT (0.44) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL10517438 0.69 ALDH1A1 (0.38) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL28125649 0.68 RAB9A (0.47) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL1414713 0.68 NPC1 (0.47) TDP1L3MBTL1MAPTALDH1A1PKM

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
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed