SCHEMBL6748044

SCHEMBL6748044

CC(C)C[C@@H](C(=O)O)N1C(=O)CCC1=O.O=C(O)[C@H](Cc1ccc(O)cc1)NNCc1cc2ccccc2oc1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ ACE P12821 2/20 0.38
▸ MAOB P27338 3/20 0.37
▸ MAOA P21397 1/20 0.37
▸ AKR1B10 O60218 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADAM17 P78536 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
SCHEMBL3279228 0.80 MAOB (0.50) ALDH1A1PKMMAOBMAOAPOLB
Succinic Acid SCHEMBL8342024 0.76 NPC1 (0.45) KDRALDH1A1MAOBMAOAL3MBTL1
SCHEMBL1508356 0.70 MET (0.40) KDRFOLH1ACEMAOBAKR1B10
SCHEMBL2332848 0.67 OPRM1 (0.47) KDR
SCHEMBL7227994 0.66 MME (0.56) ALDH1A1FOLH1ACEL3MBTL1MEN1
Tyrosine SCHEMBL9175478 0.66 KDR (0.46) KDRALDH1A1PKMMAOBMAOA
SCHEMBL112098 0.66 ALDH1A1 (0.77) ALDH1A1PKML3MBTL1POLBMEN1
SCHEMBL5010177 0.66 ALDH1A1 (0.77) ALDH1A1PKML3MBTL1POLBMEN1
SCHEMBL5580983 0.65 MAOB (0.44) ALDH1A1PKMMAOBMAOAAKR1B10
Phenylalanine SCHEMBL5935120 0.65 MAOB (0.39) ALDH1A1PKMMAOBMAOAAKR1B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773991-B1 ACTIVE CALPAIN EXPRESSED BY BACULOVIRUS CEPHALON INC (US) 2004-06-09 — — EP disclosed
US-6057143-A FOR EXPRESSION IN INSECT CELLS; TO SCREEN ENZYME INHIBITORS; AS MEAT TENDERIZER CEPHALON, INC. (US) 2000-05-02 — — US disclosed
US-5869336-A INSECT CELL VIRAL EXPRESSION SYSTEM PRODUCING CALCIUM ACTIVATED NEUTRAL PROTEASE; TREATMENT OF ALZHEIMER'S, HUNTINGTON'S, PARKINSON'S, MUSCULAR DYSTROPHY AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS CEPHALON, INC. (US) 1999-02-09 — — US disclosed
EP-0773991-A1 ACTIVE CALPAIN EXPRESSED BY BACULOVIRUS CEPHALON, INC. (US) 1997-05-21 — — EP disclosed
WO-1996002634-A1 ACTIVE CALPAIN EXPRESSED BY BACULOVIRUS CEPHALON, INC. (US) 1996-02-01 — — WO disclosed
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