SCHEMBL31486286

SCHEMBL31486286

CCCCCCCCNNC(=O)NNC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.50
HDAC1 Q13547 5/20 0.45
HDAC3 O15379 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CASP2 P42575 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
NAAA Q02083 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39

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
SCHEMBL28059419 0.90 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL8587015 0.90 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL8741361 0.90 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL28891444 0.90 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL9029626 0.90 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL29047889 0.90 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL11032495 0.90 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL253169 0.88 HDAC1 (0.47) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL4072926 0.88 EPHX1 (0.56) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL7749248 0.82 EPHX1 (0.69) EPHX1CASP2

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-119752515-A High antifriction antiwear lubricant containing extremely low amount of nano additive and preparation method thereof 中国科学院兰州化学物理研究所 2025-04-04 CN disclosed