SCHEMBL24579905

SCHEMBL24579905

O=C(OC(c1ccccc1)(c1ccc(C2CCCCCCCC2)cc1)c1ccccc1Cl)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 2/20 0.37
▸ FABP5 Q01469 2/20 0.37
▸ FFAR2 O15552 1/20 0.36
▸ FKBP1A P62942 3/20 0.36
▸ PARP1 P09874 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ KLK5 Q9Y337 1/20 0.33
▸ HCRTR2 O43614 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ RCOR1 Q9UKL0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BCL9 O00512 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ PREP P48147 2/20 0.31
▸ F10 P00742 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
SCHEMBL26449252 0.89 FABP7 (0.38) FABP7FABP5FKBP1A
SCHEMBL25658708 0.88 FFAR2 (0.36) FABP7FABP5FFAR2PARP1KIF11
SCHEMBL25658705 0.88 FFAR2 (0.36) FABP7FABP5FFAR2PARP1KIF11
SCHEMBL25658700 0.87 FFAR2 (0.36) FABP7FABP5FFAR2PARP1KIF11
SCHEMBL25658698 0.87 FFAR2 (0.36) FABP7FABP5FFAR2PARP1KIF11
SCHEMBL24579230 0.86 PRCP (0.39) —
SCHEMBL29696667 0.84 ALDH1A1 (0.41) FABP7FABP5FKBP1AKLK7KLK5
SCHEMBL24828861 0.82 PRCP (0.39) KLK5
SCHEMBL22388726 0.82 PRCP (0.39) KLK5
SCHEMBL22388727 0.82 PRCP (0.39) KLK5

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
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
Send feedback