SCHEMBL29036089

SCHEMBL29036089

CCCCCCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.61
▸ PRSS1 P07477 3/20 0.59
▸ CTSG P08311 3/20 0.59
▸ CTRB1 P17538 3/20 0.59
▸ CMA1 P23946 3/20 0.59
▸ FOLH1 Q04609 5/20 0.58
▸ NAAA Q02083 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NOD1 Q9Y239 1/20 0.50
▸ C3AR1 Q16581 1/20 0.50

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
SCHEMBL7759090 1.00 CA2 (0.61) CA2PRSS1CTSGCTRB1CMA1
SCHEMBL24064866 0.98 CA2 (0.63) CA2PRSS1CTSGCTRB1CMA1
SCHEMBL7913352 0.94 CA2 (0.60) CA2PRSS1CTSGCTRB1CMA1
SCHEMBL186935 0.94 CA2 (0.68) CA2PRSS1CTSGCTRB1CMA1
SCHEMBL186937 0.94 CA2 (0.68) CA2PRSS1CTSGCTRB1CMA1
SCHEMBL10668269 0.94 CA2 (0.68) CA2PRSS1CTSGCTRB1CMA1
Octadecylamine SCHEMBL7750304 0.93 CA2 (0.58) CA2PRSS1CTSGCTRB1CMA1
Ammonia Solution, Strong SCHEMBL11218438 0.92 CA2 (0.67) CA2PRSS1CTSGCTRB1CMA1
SCHEMBL31661789 0.88 CA2 (0.62) CA2FOLH1NOD1
Octadecanoic Acid Amide SCHEMBL7754148 0.88 SLC6A5 (0.55) CA2PRSS1CTSGCTRB1CMA1

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-116444392-B Polypeptide protein medicine oral absorption promoter and preparation method and application thereof 中国药科大学 2024-09-27 — — CN disclosed
CN-116444392-A Polypeptide protein medicine oral absorption promoter and preparation method and application thereof 中国药科大学 2023-07-18 — — CN disclosed
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