SCHEMBL7398657

SCHEMBL7398657

CCOC(=O)CCCCCOc1ccc(Nc2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
STAT3 P40763 1/20 0.50
LTA4H P09960 3/20 0.48
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
NPC1 O15118 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
JAK2 O60674 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX3 P56373 2/20 0.46
MAPT P10636 1/20 0.46
TBXAS1 P24557 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL7994994 0.82 CYSLTR2 (0.54) LMNALTA4HCYSLTR2CYSLTR1NPC1
Hydrochloric Acid SCHEMBL7405392 0.82 PPARA (0.57) LMNASMN1; SMN2STAT3ALDH1A1KMT2A
SCHEMBL7257224 0.81 LTA4H (0.57) SMN1; SMN2LTA4HCYSLTR2CYSLTR1ALDH1A1
SCHEMBL14570538 0.80 MEN1 (0.59) SMN1; SMN2LTA4HCYSLTR2CYSLTR1KMT2A
SCHEMBL11074875 0.79 PPARA (0.59) LTA4HHDAC6ALDH1A1KMT2AMAPT
SCHEMBL11078448 0.79 FAAH (0.58) TSHRL3MBTL1
SCHEMBL11086042 0.79 FAAH (0.58) TSHRL3MBTL1
SCHEMBL15104736 0.78 NR5A1 (0.60) LTA4HCYSLTR2CYSLTR1MAPT
SCHEMBL7747836 0.78 NR5A1 (0.60) LTA4HCYSLTR2CYSLTR1MAPT
SCHEMBL19474670 0.78 LTA4H (0.53) SMN1; SMN2STAT3LTA4HCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed