SCHEMBL19445598

SCHEMBL19445598

COc1ccc(N)cc1C(=O)N[C@H](C=O)CCCCCN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CTSK P43235 3/20 0.37
▸ CTSS P25774 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ PYGL P06737 1/20 0.33

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
SCHEMBL19445616 0.99 ALDH1A1 (0.40) ALDH1A1CAPN1ALOX5CTSKCTSS
SCHEMBL19445603 0.88 KLKB1 (0.39) —
SCHEMBL19445855 0.83 HTR2A (0.40) ALDH1A1CAPN1ALOX5CTSKCTSS
SCHEMBL19445595 0.83 SUV39H2 (0.45) —
SCHEMBL19445611 0.82 NPC1 (0.38) ALDH1A1
SCHEMBL19445695 0.81 SUV39H2 (0.45) —
SCHEMBL19445864 0.81 ALDH1A1 (0.39) ALDH1A1CAPN1CTSKCTSSLMNA
SCHEMBL12514755 0.81 TAS1R3 (0.47) ALDH1A1ALOX5HTR2ALMNATAS1R3
SCHEMBL19445810 0.78 KCNB1 (0.40) —
SCHEMBL19445641 0.78 ERAP2 (0.44) —

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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