SCHEMBL15637684

SCHEMBL15637684

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccc(F)cc2)n1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 9/20 0.55
▸ CYP26A1 O43174 2/20 0.47
▸ DCAF1 Q9Y4B6 2/20 0.47
▸ APLNR P35414 3/20 0.47
▸ EGLN2 Q96KS0 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ SLC6A9 P48067 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42

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
SCHEMBL15636220 1.00 CTSA (0.55) CTSACYP26A1DCAF1APLNREGLN2
SCHEMBL15636828 0.93 CTSA (0.55) CTSACYP26A1DCAF1EGLN2EGLN1
SCHEMBL15637386 0.92 CTSA (0.58) CTSACYP26A1DCAF1EGLN2EGLN1
SCHEMBL15636740 0.92 CTSA (0.58) CTSACYP26A1DCAF1EGLN2EGLN1
SCHEMBL15636402 0.91 CTSA (0.55) CTSACYP26A1DCAF1EGLN2EGLN1
SCHEMBL15636539 0.91 CTSA (0.55) CTSACYP26A1DCAF1EGLN2EGLN1
SCHEMBL15635967 0.91 CTSA (0.53) CTSACYP26A1APLNR
SCHEMBL15635375 0.91 CTSA (0.55) CTSACYP26A1APLNRPTGS2
SCHEMBL15635977 0.91 CTSA (0.57) CTSACYP26A1DCAF1EGLN2EGLN1
SCHEMBL15636694 0.91 CTSA (0.57) CTSACYP26A1DCAF1EGLN2EGLN1

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-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
Send feedback