SCHEMBL7781229

SCHEMBL7781229

CCOC(=O)c1cc(C2CC2)c(CC)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ MAPT P10636 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ POLB P06746 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ KDM4E B2RXH2 8/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ PLAT P00750 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29391322 0.79 TSHR (0.50) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL10003295 0.77 ALDH1A1 (0.60) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL31422770 0.75 ALDH1A1 (0.48) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL5901793 0.74 GAA (0.73) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL5902530 0.73 GAA (0.66) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL8885710 0.73 ALDH1A1 (0.67) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL28296071 0.72 CYP1A2 (0.45) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL16740459 0.72 KMT2A (0.46) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL8138373 0.71 KDM4E (0.44) ALDH1A1KDM4E
SCHEMBL9671945 0.71 ALDH1A1 (1.00) ALDH1A1MAPTLMNAL3MBTL1POLB

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-0971919-B1 PROCESS FOR PREPARATION OF 4H-4-OXO-QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES ABBOTT LAB (US) 2001-10-31 — — EP disclosed
CN-1248256-A Process for preparation of 4H-4-oxo-quinolizine-3-carboxylic acid derivatives ABBOTT LAB (US) 2000-03-22 — — CN disclosed
EP-0971919-A1 PROCESS FOR PREPARATION OF 4H-4-OXO-QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES Abbott Laboratories (US) 2000-01-19 — — EP disclosed
WO-1998038191-A1 PROCESS FOR PREPARATION OF 4H-4-OXO-QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1998-09-03 — — WO disclosed
US-5693813-A Process for preparation of 4H-4-oxo-quinolizine-3-carboxylic acid ABBOTT LABORATORIES (US) 1997-12-02 — — US disclosed
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