SCHEMBL16089770

SCHEMBL16089770

CC(=O)Nc1cc(CC(C)(C)C)cc(NC(C)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ ADORA3 P0DMS8 13/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ PGK1 P00558 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL28907999 0.79 L3MBTL1 (0.48) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17624787 0.78 L3MBTL1 (0.47) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL16091519 0.75 L3MBTL1 (0.44) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4552644 0.72 LMNA (0.56) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4552543 0.72 L3MBTL1 (0.59) L3MBTL1CYP1A2ADORA3ADORA2AADORA1
SCHEMBL18658437 0.72 ADORA3 (0.54) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1765929 0.71 L3MBTL1 (0.52) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1766001 0.71 L3MBTL1 (0.52) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL11989506 0.70 SMN1; SMN2 (0.55) L3MBTL1CYP1A2KDM4ELMNA
SCHEMBL1690814 0.69 ALDH1A1 (0.57) L3MBTL1CYP1A2

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-20240067892-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2024-02-29 — — US disclosed
US-20230235127-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-07-27 — — US disclosed
US-20170233668-A1 ASSOCIATIVE POLYMERS TO CONTROL FORMATION OF PARTICULATE MATTER FROM IGNITABLE COMPOSITIONS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-08-17 — — US disclosed
US-20170081466-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-03-23 — — US disclosed
US-20160145397-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2016-05-26 — — US disclosed
US-20140259887-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-18 — — US disclosed
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