SCHEMBL29067155

SCHEMBL29067155

CCOCCC(=O)OCCNC(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.37
TRPA1 O75762 1/20 0.37
EPHX2 P34913 3/20 0.37
TSHR P16473 2/20 0.35
FAAH O00519 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL459746 0.84 EPHX2 (0.42) SMN1; SMN2ALDH1A1EPHX2TSHRRAB9A
SCHEMBL18120313 0.81 MEN1 (0.44) SMN1; SMN2ALDH1A1EPHX2TSHRRAB9A
SCHEMBL3553857 0.78 TRPA1 (0.54) SMN1; SMN2ALDH1A1TRPA1MAPTGAA
SCHEMBL1577787 0.77 MEN1 (0.41) SMN1; SMN2TSHRHPGD
SCHEMBL1577477 0.77 MEN1 (0.41) SMN1; SMN2TSHRHPGD
SCHEMBL4818015 0.76 ALDH1A1 (0.56) ALDH1A1TRPA1EPHX2TSHRMAPT
SCHEMBL15849987 0.75 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1EPHX2TSHRFAAH
SCHEMBL11120633 0.73 FAAH (0.42) SMN1; SMN2ALDH1A1TRPA1TSHRFAAH
SCHEMBL444178 0.73 DGKA (0.48) ALDH1A1TSHRMAPT
SCHEMBL14978924 0.73 MEN1 (0.39) SMN1; SMN2ALDH1A1TRPA1TSHRFAAH

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-116712561-A Antibody-drug conjugates containing an N-methyleneamide linker 杭州爱科瑞思生物医药有限公司 2023-09-08 CN disclosed