SCHEMBL29587376

SCHEMBL29587376

CCc1ccccc1OC(=O)Oc1ccccc1CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
ATM Q13315 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
GLA P06280 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
SCHEMBL47950 1.00 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL14244864 0.92 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL31105833 0.91 L3MBTL1 (0.43) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL1230108 0.91 L3MBTL1 (0.43) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL1839839 0.91 L3MBTL1 (0.45) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL1839978 0.91 THRA (0.50) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL1836051 0.90 HPGD (0.58) L3MBTL1MAPTNPSR1HSD17B10HPGD
SCHEMBL1841644 0.89 L3MBTL1 (0.42) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL1836389 0.88 MAPT (0.49) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL1842590 0.88 THRA (0.58) THRATHRBKDM4EMTNR1AMTNR1B

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
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed