SCHEMBL30861812

SCHEMBL30861812

C=CCCC(=O)N(C)[C@@H](COc1ccccc1Cl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL21838127 1.00 MEN1 (0.40) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL21838129 1.00 MEN1 (0.40) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL21895867 0.86 LMNA (0.41) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL21838091 0.84 LMNA (0.35) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL21838093 0.84 LMNA (0.35) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL21838193 0.82 LMNA (0.36) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL21837752 0.78 SLC6A2 (0.42) ALDH1A1
SCHEMBL30861846 0.78 SLC6A2 (0.42) ALDH1A1
SCHEMBL21837755 0.78 SLC6A2 (0.42) ALDH1A1
SCHEMBL21837409 0.78 FAAH (0.41) HTTNPSR1

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-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 — — CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 — — CN disclosed
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