SCHEMBL8822656

SCHEMBL8822656

O=C(O)COc1cccc(Br)c1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.49
PTGDR2 Q9Y5Y4 7/20 0.46
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1B1 P15121 2/20 0.44
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.42
GRM4 Q14833 1/20 0.42
CD69 Q07108 1/20 0.41

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
SCHEMBL7169786 0.88 KDM4E (0.58) PKMKDM4EALDH1A1HPGDTDP1
SCHEMBL8875720 0.85 ABCB1 (0.48) KDM4EALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL9038528 0.83 L3MBTL1 (0.46) PKMKDM4EALDH1A1HPGDTDP1
SCHEMBL8874954 0.83 PTGDR2 (0.50) PKMKDM4EALDH1A1HPGDTDP1
SCHEMBL8822606 0.81 PTGDR2 (0.48) PKMKDM4EALDH1A1HPGDTDP1
SCHEMBL17681784 0.81 CA12 (0.47) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL3241147 0.80 PKM (0.64) PKMKDM4EALDH1A1HPGDTDP1
SCHEMBL19475267 0.80 AKR1B1 (0.56) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL5386792 0.75 L3MBTL1 (0.65) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL9646424 0.74 KMT2A (0.66) PKMKDM4EALDH1A1HPGDTDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637624-A ANTISEROTONIN AGENT ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
EP-0471515-B1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes and 3-aminothiochromanes LILLY CO ELI (US) 1997-03-05 EP disclosed
US-5594034-A ADMINISTERING DIRECT ACTING 5-HYDROXYTRYPTAMINE AGONIST TO MAMMAL ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5571942-A Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1996-11-05 US disclosed
US-5552444-A AGONIST ACTIVITY AT SEROTONIN RECEPTORS, ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0712837-A2 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1996-05-22 EP disclosed
US-5470977-A Serotonin 1A receptor agonists ELI LILLY AND COMPANY (US) 1995-11-28 US disclosed
EP-0385658-B1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1994-12-28 EP disclosed
US-5340838-A Administering serotonin agonist to mammals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
US-5286753-A Serotonin 1a receptor agonists ELI LILLY AND COMPANY (US) 1994-02-15 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
EP-0498590-A1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes ELI LILLY AND COMPANY (US) 1992-08-12 EP disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0471515-A1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes and 3-aminothiochromanes ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 EP disclosed