SCHEMBL30987796

SCHEMBL30987796

CCOCCOCCOCCOCCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ FURIN P09958 3/20 0.40
▸ CHRNA1 P02708 2/20 0.38
▸ CHRNG P07510 2/20 0.38
▸ CHRNB1 P11230 2/20 0.38
▸ CHRND Q07001 2/20 0.38
▸ SIRT1 Q96EB6 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ MAP1LC3B Q9GZQ8 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ FAP Q12884 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL30297062 0.96 HTT (0.41) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL30988364 0.93 FURIN (0.42) HTTFURINSIRT1SMN1; SMN2SIRT2
SCHEMBL25787504 0.90 FURIN (0.40) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL15699736 0.90 FURIN (0.40) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL22138596 0.89 FURIN (0.39) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL20705515 0.89 FURIN (0.39) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL19681567 0.89 FURIN (0.39) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL27447192 0.89 FURIN (0.39) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL25831637 0.89 HTT (0.41) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL23355149 0.88 CTSL (0.42) HTTFURINSIRT1SIRT2NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955604-A Steroid compounds and antibody conjugates thereof 里珍纳龙药品有限公司 2024-11-15 — — CN disclosed
CN-112004557-B Steroid compounds and antibody conjugates thereof 里珍纳龙药品有限公司 2024-07-30 — — CN disclosed
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