SCHEMBL9547591

SCHEMBL9547591

CCCCNC(=O)N(CC)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
EPHX1 P07099 11/20 0.46
EPHX2 P34913 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10536742 0.87 NAAA (0.50) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL3482966 0.86 NAAA (0.43) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL11083274 0.84 NAAA (0.42) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL966598 0.83 L3MBTL1 (0.45) EPHX1MEN1KMT2AALDH1A1
SCHEMBL16195468 0.82 NAAA (0.57) NAAAEPHX1EPHX2
SCHEMBL966645 0.81 L3MBTL1 (0.43) EPHX1MEN1KMT2AALDH1A1
SCHEMBL3261774 0.79 NAAA (0.46) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL966413 0.79 L3MBTL1 (0.41) EPHX1MEN1KMT2AALDH1A1
SCHEMBL7563693 0.79 EPHX1 (0.47) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL9265694 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed