SCHEMBL9547553

SCHEMBL9547553

O=C(NCCCCCCNC(=O)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.83
ALDH1A1 P00352 4/20 0.83
HTT P42858 2/20 0.83
HDAC1 Q13547 2/20 0.78
HDAC8 Q9BY41 2/20 0.78
HDAC6 Q9UBN7 2/20 0.78
KDM4E B2RXH2 1/20 0.74
LMNA P02545 2/20 0.71
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
CDK2 P24941 1/20 0.65
FLT4 P35916 1/20 0.65
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.61

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
SCHEMBL19420655 1.00 EPHX1 (0.83) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL2446111 0.94 EPHX1 (0.77) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL19420692 0.93 EPHX1 (0.73) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL15741133 0.93 EPHX1 (0.73) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL5020899 0.91 EPHX1 (1.00) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL9187979 0.91 EPHX1 (0.72) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL20709030 0.91 EPHX1 (0.77) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL17119069 0.91 EPHX1 (1.00) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL11671083 0.91 EPHX1 (1.00) EPHX1ALDH1A1HTTHDAC1HDAC8
SCHEMBL10599308 0.91 EPHX1 (1.00) EPHX1ALDH1A1HTTHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-20190276634-A1 ACRYLIC POLYMER COMPOSITION ZEON CORPORATION (JP) 2019-09-12 US disclosed
US-20190106552-A1 ACRYLIC POLYMER COMPOSITION ZEON CORPORATION (JP) 2019-04-11 US disclosed
EP-3438191-A1 ACRYLIC POLYMER COMPOSITION Zeon Corporation (JP) 2019-02-06 EP disclosed
EP-3438192-A1 ACRYLIC POLYMER COMPOSITION Zeon Corporation (JP) 2019-02-06 EP disclosed
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