SCHEMBL6509546

SCHEMBL6509546

CC(C)[C@@H](C(=O)O)N(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 2/20 0.46
AKR1B1 P15121 1/20 0.46
PTPN1 P18031 1/20 0.44
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
AGTR1 P30556 4/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
ABCB11 O95342 1/20 0.42
GP6 Q9HCN6 1/20 0.42
EGLN1 Q9GZT9 1/20 0.40
MME P08473 1/20 0.40
ESR2 Q92731 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CTSL P07711 2/20 0.39

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
SCHEMBL2651 0.89 ALDH1A1 (0.52) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL7271381 0.89 ALDH1A1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL7278662 0.89 MME (0.44) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3664 0.88 FFAR1 (0.45) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL1820 0.88 FFAR1 (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL7278787 0.87 AGTR1 (0.48) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL2989 0.86 FFAR1 (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL2438545 0.85 FFAR1 (0.48) LMNAFFAR1AKR1B1PTPN1OXTR
SCHEMBL3473577 0.83 FFAR1 (0.46) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3473572 0.83 FFAR1 (0.46) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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-2005049586-A1 PROCESS FOR PRODUCTION OF (S) -N-PENTANOYL-N-[[2’-(1H-TETRAZOLE-5YL) [1,1’-BIPHENYL]-4-YL]METHYL]-L-VALINE BELUPO-LIJEKOVI KOZMETIKA D.D. (HR) 2005-06-02 WO disclosed