SCHEMBL25549544

SCHEMBL25549544

C=C(CCC(C)(C)CCC)NCCCC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.34
ACHE P22303 6/20 0.32
CASP2 P42575 1/20 0.32
MMP2 P08253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL22520870 0.81
SCHEMBL24238536 0.78 EPHX1 (0.43) EPHX1ACHECASP2MMP2MEN1
SCHEMBL7790310 0.78 CASP2 (0.45) EPHX1ACHECASP2MMP2MEN1
SCHEMBL19988365 0.78 EPHX1 (0.43) EPHX1ACHECASP2MMP2MEN1
SCHEMBL19631511 0.76 EPHX1 (0.42) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL20016975 0.76 EPHX1 (0.33) EPHX1MEN1KMT2AZDHHC20ZDHHC2
SCHEMBL23109801 0.75 CA2 (0.35) EPHX1CASP2ALDH1A1
SCHEMBL20785730 0.74 CASP2 (0.32) EPHX1CASP2
SCHEMBL22447142 0.74 EPHX1 (0.50) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL19336122 0.74 EPHX1 (0.50) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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