SCHEMBL19445516

SCHEMBL19445516

C[C@H](CCCNC(=N)N)C(=O)Nc1ccc(O)c(CC(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.39
▸ F10 P00742 2/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ NPY4R P50391 10/20 0.36
▸ NPY5R Q15761 8/20 0.36
▸ NPY1R P25929 8/20 0.36
▸ NPY2R P49146 5/20 0.36
▸ LMNA P02545 1/20 0.34

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
SCHEMBL13973873 0.75 LMNA (0.42) HSD17B10LMNA
SCHEMBL19445593 0.74 HSD17B10 (0.41) HSD17B10F10CA1CA2CA7
SCHEMBL13973703 0.74 HSD17B10 (0.40) HSD17B10CA1CA2CA7CA14
SCHEMBL27354286 0.71 ALOX15 (0.37) HSD17B10NPY4RNPY5RNPY1RNPY2R
SCHEMBL10710806 0.71 KDM4C (0.44) HSD17B10TSHRNPY4RNPY5RNPY1R
Hydrochloric Acid SCHEMBL10713210 0.70 KDM4C (0.44) HSD17B10TSHRNPY4RNPY5RNPY1R
SCHEMBL21782662 0.70 DPP7 (0.41) NPY4RNPY5RNPY1RNPY2R
SCHEMBL19445850 0.69 NPC1 (0.42) HSD17B10TSHRLMNA
SCHEMBL21782696 0.69 GNAI3 (0.41) NPY4RNPY5RNPY1RNPY2R
SCHEMBL20713735 0.67 ALOX15 (0.39) NPY4RNPY5RNPY1RNPY2R

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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