SCHEMBL19901687

SCHEMBL19901687

Cc1nc2cccc(OC[C@H](N)NC(=O)c3cccc(O)c3)c2c(N)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HPGDS O60760 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL618758 0.92 HPGD (0.38) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL619252 0.92 HPGD (0.38) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL618757 0.92 HPGD (0.38) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL620495 0.90 ALDH1A1 (0.37) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL621416 0.90 TAS1R3 (0.37) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL620609 0.90 TAS1R3 (0.37) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL620496 0.90 ALDH1A1 (0.37) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL19901693 0.88 TP53 (0.37) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL21149029 0.85 NPC1 (0.43) KDM4EMEN1KMT2ALMNAGAA
SCHEMBL21281165 0.84 MCHR1 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E

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
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 — — US disclosed
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