SCHEMBL25537622

SCHEMBL25537622

O=CCCCNC(=O)CCCCCNC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
SLC6A5 Q9Y345 2/20 0.46
CASP2 P42575 1/20 0.44
FAAH O00519 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAAA Q02083 1/20 0.42
DNM1 Q05193 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL17776037 0.90 EPHX2 (0.56) EPHX2SLC6A5CASP2FAAHALDH1A1
SCHEMBL18973140 0.90 EPHX2 (0.51) EPHX2SLC6A5FAAHALDH1A1KDM4E
SCHEMBL23735535 0.86 KDM4E (0.55) EPHX2SLC6A5CASP2FAAHNAAA
SCHEMBL12295581 0.86 EPHX2 (0.49) EPHX2SLC6A5CASP2FAAHNAAA
SCHEMBL18973109 0.85 EPHX2 (0.59) EPHX2SLC6A5FAAHKDM4E
SCHEMBL18973044 0.85 EPHX2 (0.59) EPHX2SLC6A5FAAHKDM4E
SCHEMBL19752293 0.85 EPHX2 (0.59) EPHX2SLC6A5FAAHKDM4E
SCHEMBL18972946 0.85 EPHX2 (0.59) EPHX2SLC6A5FAAHKDM4E
SCHEMBL19752295 0.84 EPHX2 (0.58) EPHX2SLC6A5FAAHKDM4E
SCHEMBL23735537 0.84 KDM4E (0.57) EPHX2SLC6A5CASP2FAAHNAAA

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
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed