SCHEMBL6991986

SCHEMBL6991986

CC(C(=O)OC(C)(C)C)N1CCCC(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
BTK Q06187 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A1 P30531 1/20 0.34

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
SCHEMBL16012676 1.00 HSD17B10 (0.41) HSD17B10BTKALDH1A1HRH3KMT2A
SCHEMBL3825201 0.82 HSD17B10 (0.45) HSD17B10BTKALDH1A1HRH3KMT2A
SCHEMBL6360040 0.80 ALDH1A1 (0.46) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL19230347 0.77 ALDH1A1 (0.41) HSD17B10BTKALDH1A1KMT2AMEN1
SCHEMBL12259378 0.76 ALDH1A1 (0.49) HSD17B10ALDH1A1HRH3KMT2AMEN1
SCHEMBL3563641 0.76 ALDH1A1 (0.49) HSD17B10ALDH1A1HRH3KMT2AMEN1
SCHEMBL8062721 0.76 ALDH1A1 (0.49) HSD17B10ALDH1A1HRH3KMT2AMEN1
SCHEMBL4344525 0.76 HRH3 (0.38) ALDH1A1HRH3MAPTHPGDRAB9A
SCHEMBL4344528 0.76 HRH3 (0.38) ALDH1A1HRH3MAPTHPGDRAB9A
SCHEMBL4337458 0.76 HRH3 (0.38) ALDH1A1HRH3MAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730454-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 2003-06-04 EP disclosed
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 EP disclosed
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US disclosed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 US disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 WO disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 US disclosed
EP-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 US disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed