SCHEMBL30854404

SCHEMBL30854404

O=C(O)CCCOCCOC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL24776345 0.92 MEN1 (0.57) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL5118077 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL29148468 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL1532127 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL29172381 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL6526800 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL10518204 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL4100095 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL11577255 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C
SCHEMBL27200192 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRKDM4C

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-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed