SCHEMBL22167483

SCHEMBL22167483

CCCC1CCC(C2CCC(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCC(=O)O)cc4)nc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PRSS1 P07477 7/20 0.34
▸ PLG P00747 5/20 0.34
▸ PRSS2 P07478 5/20 0.34
▸ PRSS3 P35030 5/20 0.34
▸ KIFC1 Q9BW19 6/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ F10 P00742 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ KIF11 P52732 1/20 0.32

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
SCHEMBL17834502 0.90 ITGB3 (0.37) L3MBTL1KIFC1MAPK14
SCHEMBL19485671 0.90 ITGB3 (0.37) L3MBTL1KIFC1MAPK14
SCHEMBL17468562 0.90 ALDH1A1 (0.35) ALDH1A1LMNAMAPTKIFC1CYP2C9
SCHEMBL17834580 0.89 DGAT1 (0.36) L3MBTL1PRSS1PLGPRSS2PRSS3
SCHEMBL22167260 0.89 L3MBTL1 (0.32) L3MBTL1PRSS1PLGPRSS2PRSS3
SCHEMBL22167453 0.88 PSMB2 (0.35) ALDH1A1LMNAMAPTPRSS1PLG
SCHEMBL22167229 0.85 PLG (0.33) L3MBTL1PRSS1PLGPRSS2PRSS3
SCHEMBL17834855 0.84 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKIFC1CYP2C9
SCHEMBL17834538 0.84 ALDH1A1 (0.38) ALDH1A1LMNAMAPTL3MBTL1KIFC1
SCHEMBL22167265 0.84 KLKB1 (0.31) L3MBTL1PRSS1PLGPRSS2PRSS3

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-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
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